Naphthoxyacetic acid

C12H10O3CAS 2976-75-2202.21 g/mol

Open in Covalent MOL file
OHOO
Carboxylic acidEther

Properties

Molecular formula
C12H10O3
Molar mass
202.21 g/mol
Exact mass
202.0630 Da
Melting point
195–197 °C
logP
2.30Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 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
2976-75-2
SMILES
O=C(O)COc1cccc2ccccc12
InChIKey
GHRYSOFWKRRLMI-UHFFFAOYSA-N
InChI
InChI=1S/C12H10O3/c13-12(14)8-15-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,13,14)

Weigh it out

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

Names and synonyms

15 names · show all
  • Acetic acid, 2-(1-naphthalenyloxy)-
  • Acetic acid, (1-naphthyloxy)-
  • Acetic acid, (1-naphthalenyloxy)-
  • Acetic acid, 1-naphthoxy-
  • 2-(1-Naphthalenyloxy)acetic acid
  • α-Naphthoxyacetic acid
  • 1-Naphthoxyacetic acid
  • α-Naphthyloxyacetic acid
  • 1-Naphthyloxyacetic acid
  • 1-Naphthalenyloxyacetic acid
  • 2-(1-Naphthyloxy)acetic acid
  • 2-(1-Naphthoxy)acetic acid
  • Naphthalene 1-carboxymethyl ether
  • NSC 9847
  • 2-[(Naphthalen-1-yl)oxy]acetic acid

Work with Naphthoxyacetic 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-Phenylenedioxydiacetic acid5411-14-371 % similar o-Chlorophenoxyacetic acid614-61-964 % similar O-Bromophenoxyacetic acid1879-56-761 % similar (2-Methylphenoxy)acetic acid1878-49-559 % similar 2-(2-Methoxyphenoxy)acetic acid1878-85-959 % similar 2-(Carboxymethoxy)benzoic acid635-53-058 % similar 2-(1-Naphthyloxy)acetohydrazide24310-15-457 % similar 2,3-Dichlorophenoxyacetic acid2976-74-156 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methyl-5-phenylfuran-3-carboxylic acid108124-17-0 2-Naphthoxyacetic acid120-23-0 4-Methoxy-1-naphthalenecarboxylic acid13041-62-8 4,4′-Dihydroxydiphenyl ether1965-09-9 6-Methoxy-2-naphthoic acid2471-70-7 6-Methoxy-1-naphthoic acid36112-61-5 6-Ethyl-3-formylchromone42059-78-9 5,7-Dimethyl-4-oxo-4H-chromene-3-carbaldehyde62484-76-8

Elsewhere

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