chempirical

Methyl 2-naphthoate

C12H10O2CAS 2459-25-8186.21 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C12H10O2
Molar mass
186.21 g/mol
Exact mass
186.0681 Da
Melting point
77 °C
Boiling point
290 °C
logP
2.63Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
2459-25-8
SMILES
COC(=O)c1ccc2ccccc2c1
InChIKey
IODOXLXFXNATGI-UHFFFAOYSA-N
InChI
InChI=1S/C12H10O2/c1-14-12(13)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3

Weigh it out

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Names and synonyms

6 names
  • 2-Naphthalenecarboxylic acid, methyl ester
  • 2-Naphthoic acid, methyl ester
  • Methyl 2-naphthalenecarboxylate
  • 2-Carbomethoxynaphthalene
  • NSC 17493
  • Methyl 2-naphthylcarboxylate

Work with Methyl 2-naphthoate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6-Dimethyl 2,6-naphthalenedicarboxylate840-65-385 % similar Methyl 6-bromonaphthalene-2-carboxylate33626-98-168 % similar Dimethyl isophthalate1459-93-463 % similar Ethyl 2-naphthoate3007-91-863 % similar Methyl 6-quinolinecarboxylate38896-30-962 % similar Dimethyl terephthalate120-61-661 % similar Methyl benzoate93-58-360 % similar Trimethyl trimellitate2459-10-158 % 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 6-Methoxy-2-naphthaldehyde3453-33-6 2-Methoxy-1-naphthaldehyde5392-12-1 2-Naphthaleneacetic acid581-96-4 3-Phenoxyphenol713-68-8

Elsewhere

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