chempirical

2-Indancarboxylic acid

C10H10O2CAS 25177-85-9162.19 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C10H10O2
Molar mass
162.19 g/mol
Exact mass
162.0681 Da
logP
1.49Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
25177-85-9
SMILES
C1C(CC2=CC=CC=C21)C(=O)O
InChIKey
XUDCMQBOWOLYCF-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O2/c11-10(12)9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6H2,(H,11,12)

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Work with 2-Indancarboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(3R)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid103733-65-958 % similar 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid67123-97-158 % similar (-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid74163-81-858 % similar (±)-Indoline-2-carboxylic acid16851-56-253 % similar 2,3-Dihydrobenzofuran-2-carboxylic acid1914-60-953 % similar (±)-Indoline-2-carboxylic acid78348-24-053 % similar (S)-Indoline-2-carboxylic acid79815-20-653 % similar 1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid hydrochloride41994-51-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

γ-Phenyl-γ-butyrolactone1008-76-0 1,4-Diacetylbenzene1009-61-6 Methyl cinnamate103-26-4 Cinnamyl formate104-65-4 α-Methylcinnamic acid1199-77-5 Isosafrole120-58-1 4-Methoxy-2,3-dihydro-1H-inden-1-one13336-31-7 6-Methoxy-1-indanone13623-25-1

Elsewhere

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