chempirical

4-Methyl-1-naphthoic acid

C12H10O2CAS 4488-40-8186.21 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C12H10O2
Molar mass
186.21 g/mol
Exact mass
186.0681 Da
logP
2.85Crippen 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
4488-40-8
SMILES
CC1=CC=C(C2=CC=CC=C12)C(=O)O
InChIKey
SIVYRLBDAPKADZ-UHFFFAOYSA-N
InChI
InChI=1S/C12H10O2/c1-8-6-7-11(12(13)14)10-5-3-2-4-9(8)10/h2-7H,1H3,(H,13,14)

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Names and synonyms

1 names
  • 4-Methyl-1-naphthalenecarboxylic acid

Work with 4-Methyl-1-naphthoic 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 acid605-70-974 % similar 4-Acetyl-1-naphthalenecarboxylic acid131986-05-564 % similar o-Toluic acid118-90-161 % similar 4-Chloronaphthalene-1-carboxylic acid1013-04-359 % similar 4-Bromo-1-naphtalenecarboxylic acid16650-55-859 % similar 4-Fluoro-1-naphthoic acid573-03-559 % similar 4-Methoxy-1-naphthalenecarboxylic acid13041-62-858 % similar 4-Ethyl-1-naphthoic acid91902-58-858 % 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 2,2′-Biphenol1806-29-7 1,4-Benzenedicarboxaldehyd2065232-74-6 Methyl 2-naphthoate2459-25-8 6-Methoxy-2-naphthaldehyde3453-33-6 2-Methoxy-1-naphthaldehyde5392-12-1

Elsewhere

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