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CAS 1197-09-7 3′,4′-Dihydroxyacetophenone molecular structure lightbox
CAS RN: 1197-09-7

3′,4′-Dihydroxyacetophenone

Product Availability

Choose a grade to view its available package options.

11 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251126 1g In stock Inquiry
Batchno.20260215 200mg In stock Inquiry
Batchno.20250508 20g In stock Inquiry
Batchno.20250624 25g In stock Inquiry
Batchno.20250523 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251129 100g In stock Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250907 10g Out of stock Inquiry
Batchno.20250411 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250222 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20250707 25g Out of stock Inquiry
Batchno.20250321 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-020375
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1197-09-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 0 Out of Stock Hong Kong Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry
10g ≥97% 0 Out of Stock Shanghai Inquiry

1197-09-7 / 1-(3,4-dihydroxyphenyl)ethanone

3',4'-Dihydroxyacetophenone | 1-(3,4-Dihydroxyphenyl)ethanone | 3,4-DIHYDROXYACETOPHENONE

Standard CAS: 1197-09-7 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1197-09-7
Multi CAS
No
Molecular Formula
C8H8O3
Molecular Weight
152.150000
Exact Mass
152.047344
SMILES
CC(=O)C1=CC(=C(C=C1)O)O
InChI
InChI=1S/C8H8O3/c1-5(9)6-2-3-7(10)8(11)4-6/h2-4,10-11H,1H3
InChIKey
UCQUAMAQHHEXGD-UHFFFAOYSA-N
Synonyms
3',4'-Dihydroxyacetophenone 1-(3,4-Dihydroxyphenyl)ethanone 3,4-DIHYDROXYACETOPHENONE Qingxintong Acetopyrocatechol

Physical Properties

Melting Point
116 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
39.78
TPSA
57.53

LogP / Solubility

WLOGP
1.3
MLOGP
1.14
XLogP3
1.5
Consensus LogP
1.31
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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