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CAS 713-52-0 Methyl 3-Hydroxy-4-nitrobenzoate molecular structure lightbox
CAS RN: 713-52-0

Methyl 3-Hydroxy-4-nitrobenzoate

  • Product code: SSC-180940
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g, 500g
  • Available purity: ≥98%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 713-52-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Hong Kong Inquiry
5g ≥98% 5 In Stock Shenzhen Inquiry
10g ≥98% 5 In Stock Hong Kong Inquiry
25g ≥98% 5 In Stock Hong Kong Inquiry
100g ≥98% 5 In Stock Hong Kong Inquiry
500g ≥98% 0 Out of Stock Beijing Inquiry

713-52-0 / methyl 3-hydroxy-4-nitrobenzoate

Standard CAS: 713-52-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
713-52-0
Multi CAS
Yes
Molecular Formula
C8H7NO5
Molecular Weight
197.140000
Exact Mass
197.032422
InChI
InChI=1S/C8H7NO5/c1-14-8(11)5-2-3-6(9(12)13)7(10)4-5/h2-4,10H,1H3
InChIKey
UEGCRFNWTGYVKX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
46.1
TPSA
89.67

LogP / Solubility

WLOGP
1.09
MLOGP
0.96
XLogP3
2.3
Consensus LogP
1.45
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
Class (SILICOS-IT)
Moderately 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)
-3.15

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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