4-Methoxy-1-naphthalenecarboxylic acid

C12H10O3CAS 13041-62-8202.21 g/mol

Open in Covalent MOL file
OOOH
Carboxylic acidEther

Properties

Molecular formula
C12H10O3
Molar mass
202.21 g/mol
Exact mass
202.0630 Da
Melting point
230 °C
logP
2.55Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
13041-62-8
SMILES
COc1ccc(C(=O)O)c2ccccc12
InChIKey
WRQHSQDGYYDRMX-UHFFFAOYSA-N
InChI
InChI=1S/C12H10O3/c1-15-11-7-6-10(12(13)14)8-4-2-3-5-9(8)11/h2-7H,1H3,(H,13,14)

Weigh it out

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Names and synonyms

5 names
  • 1-Naphthalenecarboxylic acid, 4-methoxy-
  • 1-Naphthoic acid, 4-methoxy-
  • 4-Methoxy-1-naphthoic acid
  • 4-Methoxy-α-naphthoic acid
  • 4-Methoxynaphthalene-1-carboxylic acid

Work with 4-Methoxy-1-naphthalenecarboxylic 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

1,4-Naphthalenedicarboxylic acid605-70-967 % similar 2-Methoxybenzoic acid529-75-965 % similar o-Anisic acid579-75-965 % similar 2,3,4-Trimethoxybenzoic acid573-11-561 % similar Menbutone3562-99-060 % similar 4-Acetyl-1-naphthalenecarboxylic acid131986-05-558 % similar 4-Methyl-1-naphthoic acid4488-40-858 % similar 2,3-Difluoro-4-methoxybenzoic acid329014-60-058 % 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 4,4′-Dihydroxydiphenyl ether1965-09-9 6-Methoxy-2-naphthoic acid2471-70-7 Naphthoxyacetic acid2976-75-2 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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