[email protected]
CAS 877-01-0 (R)-2,3-Dihydro-1H-indene-1-carboxylicacid molecular structure lightbox
CAS RN: 877-01-0

(R)-2,3-Dihydro-1H-indene-1-carboxylicacid

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250402 1g In stock Shanghai Inquiry
GET A QUOTE

877-01-0 / (1R)-2,3-dihydro-1H-indene-1-carboxylic acid

(1R)-2,3-Dihydro-1H-indene-1-carboxylic acid | DTXSID50490831 | RefChem:204910

Standard CAS: 877-01-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
877-01-0
Multi CAS
Yes
Molecular Formula
C10H10O2
Molecular Weight
162.180000
Exact Mass
162.068080
SMILES
C1CC2=CC=CC=C2C1C(=O)O
InChI
InChI=1S/C10H10O2/c11-10(12)9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6H2,(H,11,12)/t9-/m1/s1
InChIKey
JBQMFBWTKWOSQX-SECBINFHSA-N
Synonyms
(1R)-2,3-Dihydro-1H-indene-1-carboxylic acid DTXSID50490831 RefChem:204910 DTXCID50441641 840-159-0

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.14
TPSA
37.3

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
XLogP3
1.8
Consensus LogP
1.73
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
Class (SILICOS-IT)
Moderately 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)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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 (click each P-code to see the statement)

Customers Also Viewed

Get In Touch

Contact Us