2-(2,3-Dihydro-1H-inden-2-yl)acetic Acid

C11H12O2CAS 37868-26-1176.21 g/mol

Open in Covalent MOL file
OHO
Carboxylic acid

Properties

Molecular formula
C11H12O2
Molar mass
176.21 g/mol
Exact mass
176.0837 Da
logP
1.88Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
37868-26-1
SMILES
C1C(CC2=CC=CC=C21)CC(=O)O
InChIKey
TULDPXYHBFBRGW-UHFFFAOYSA-N
InChI
InChI=1S/C11H12O2/c12-11(13)7-8-5-9-3-1-2-4-10(9)6-8/h1-4,8H,5-7H2,(H,12,13)

Weigh it out

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Names and synonyms

1 names
  • 2-Indanylacetic acid

Work with 2-(2,3-Dihydro-1H-inden-2-yl)acetic 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

1,2-Benzenediacetic acid7500-53-055 % similar 3-Phenylglutaric acid4165-96-253 % similar Diphenylpropionic acid606-83-753 % similar (βR)-β-Amino-1-naphthalenebutanoic acid269398-88-153 % similar (βS)-β-Amino-2-chlorobenzenebutanoic acid270596-36-653 % similar β-Aminobenzenebutanoic acid15099-85-151 % similar 2-Indancarboxylic acid25177-85-950 % similar 3-Phenylbutyric acid4593-90-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl cinnamate103-36-6 Cinnamyl acetate103-54-8 6-Methoxy-1-tetralone1078-19-9 5,6,7,8-Tetrahydro-2-naphthoic acid1131-63-1 3'-Allyl-4'-hydroxyacetophenone1132-05-4 8-Methoxy-3,4-dihydronaphthalen-1(2H)-one13185-18-7 Allyl phenylacetate1797-74-6 1,2,3,4-Tetrahydro-1-naphthoic acid1914-65-4

Elsewhere

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