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CAS 34112-74-8 3-(Hydroxymethyl)-2-nitrophenol molecular structure lightbox
CAS RN: 34112-74-8

3-(Hydroxymethyl)-2-nitrophenol

  • Product code: SSC-140350
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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: 5g
  • Available purity: ≥95%
  • 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 34112-74-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

34112-74-8 / 3-(hydroxymethyl)-2-nitrophenol

Standard CAS: 34112-74-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34112-74-8
Multi CAS
Yes
Molecular Formula
C7H7NO4
Molecular Weight
169.130000
Exact Mass
169.037508
InChI
InChI=1S/C7H7NO4/c9-4-5-2-1-3-6(10)7(5)8(11)12/h1-3,9-10H,4H2
InChIKey
DCEWMNYPPSLSLQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
40.68
TPSA
83.6

LogP / Solubility

WLOGP
0.79
MLOGP
0.69
XLogP3
1
Consensus LogP
0.83
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19

Drug-likeness / Medicinal Chemistry

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

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