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CAS 1703-61-3 4-oxocyclopentane-1,2-dicarboxylic acid molecular structure lightbox
CAS RN: 1703-61-3

4-oxocyclopentane-1,2-dicarboxylic acid

  • Product code: SSC-074910
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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
  • Available purity: >97%
  • Inventory rows with stock: 1
  • 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 1703-61-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 4 In Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry
100g >97% 0 Out of Stock Shanghai Inquiry

1703-61-3 / 4-oxocyclopentane-1,2-dicarboxylic acid

Standard CAS: 1703-61-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1703-61-3
Multi CAS
No
Molecular Formula
C7H8O5
Molecular Weight
172.130000
Exact Mass
172.037173
SMILES
C1C(C(CC1=O)C(=O)O)C(=O)O
InChI
InChI=1S/C7H8O5/c8-3-1-4(6(9)10)5(2-3)7(11)12/h4-5H,1-2H2,(H,9,10)(H,11,12)
InChIKey
CJSMOECOKYPHSC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
36.49
TPSA
91.67

LogP / Solubility

WLOGP
-0.25
MLOGP
-0.22
XLogP3
-1.3
Consensus LogP
-0.59
Log S (ESOL)
-0.62
Class (ESOL)
Very soluble
Log S (Ali)
-0.79
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.81
Class (SILICOS-IT)
Very 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)
-3.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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