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CAS 13193-24-3 2-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid molecular structure lightbox
CAS RN: 13193-24-3

2-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250711 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS13193-24-3
  • Purity/Analytical Methods: >99.0%
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13193-24-3 / 2-hydroxy-1,3-dihydroindene-2-carboxylic acid

Standard CAS: 13193-24-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13193-24-3
Multi CAS
No
Molecular Formula
C10H10O3
Molecular Weight
178.180000
Exact Mass
178.062994
SMILES
C1C2=CC=CC=C2CC1(C(=O)O)O
InChI
InChI=1S/C10H10O3/c11-9(12)10(13)5-7-3-1-2-4-8(7)6-10/h1-4,13H,5-6H2,(H,11,12)
InChIKey
QXZHLYGZXSVTGM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.44
TPSA
57.53

LogP / Solubility

WLOGP
0.6
MLOGP
0.53
XLogP3
1
Consensus LogP
0.71
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
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)
-3.38

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

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

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