2-Naphthaleneacetic acid

C12H10O2CAS 581-96-4186.21 g/mol

Open in Covalent MOL file
OHO
Carboxylic acid

Properties

Molecular formula
C12H10O2
Molar mass
186.21 g/mol
Exact mass
186.0681 Da
Melting point
142 °C
logP
2.47Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 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
581-96-4
SMILES
O=C(O)Cc1ccc2ccccc2c1
InChIKey
VIBOGIYPPWLDTI-UHFFFAOYSA-N
InChI
InChI=1S/C12H10O2/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H,13,14)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • β-Naphthaleneacetic acid
  • 2-Naphthylacetic acid
  • Betoxan
  • β-Naphthaleneacetate
  • β-Naphthylacetic acid
  • 2-(2-Naphthyl)acetic acid
  • 2-NAA
  • Naphthalen-2-ylacetic acid
  • NSC 301
  • 2-Naphthalen-2-ylacetic acid

Work with 2-Naphthaleneacetic 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

1,3-Benzenediacetic acid19806-17-863 % similar 6-Methoxy-2-naphthylacetic acid23981-47-762 % similar 1,4-Benzenediacetic acid7325-46-461 % similar Phenylacetic acid103-82-260 % similar 2-Naphthaleneacetyl chloride37859-25-959 % similar 2-Naphthoxyacetic acid120-23-058 % similar Felbinac5728-52-958 % similar (R)-3-Amino-4-(2-naphthyl)butanoic acid hydrochloride269398-90-556 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Phenylhydroquinone1079-21-6 2-Naphthyl acetate1523-11-1 4-Methoxy-1-naphthaldehyde15971-29-6 (1,1'-Biphenyl)-2,2'-diol1806-29-7 1,4-Benzenedicarboxaldehyd2065232-74-6 Methyl 2-naphthoate2459-25-8 6-Methoxy-2-naphthaldehyde3453-33-6 4-Methyl-1-naphthoic acid4488-40-8

Elsewhere

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