chempirical

Methyl 1-naphthylacetate

C13H12O2CAS 2876-78-0200.24 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C13H12O2
Molar mass
200.24 g/mol
Exact mass
200.0837 Da
Density
1.1459 g/mL (at 20 °C)
Melting point
143–144 °C
Boiling point
103 °C (at 2 Torr)
logP
2.56Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
2876-78-0
SMILES
COC(=O)Cc1cccc2ccccc12
InChIKey
YGGXZTQSGNFKPJ-UHFFFAOYSA-N
InChI
InChI=1S/C13H12O2/c1-15-13(14)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3

Weigh it out

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

Names and synonyms

12 names
  • 1-Naphthaleneacetic acid, methyl ester
  • Methyl α-naphthylacetate
  • Hormonit
  • Methyl 1-naphthaleneacetate
  • Kartofin
  • α-Naphthaleneacetic acid methyl ester
  • α-Naphthylacetic acid methyl ester
  • M 1 (Growth regulator)
  • M 1
  • Methyl α-naphthaleneacetate
  • NSC 122030
  • Methyl 1-naphthalenylacetate

Work with Methyl 1-naphthylacetate

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

Methyl 2-chlorobenzeneacetate57486-68-764 % similar Methyl (2-hydroxyphenyl)acetate22446-37-359 % similar Methyl 2-methoxybenzeneacetate27798-60-359 % similar β-Indolylacetic acid methyl ester1912-33-057 % similar Methyl phenylacetate101-41-754 % similar 1-Naphthaleneacetic acid86-87-354 % similar Potassium α-naphthaleneacetate15165-79-450 % similar Sodium α-naphthaleneacetate61-31-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Monobenzone103-16-2 3-Phenoxybenzyl alcohol13826-35-2 2-Methoxyphenyl phenyl ether1695-04-1 2-Ethoxy-1-naphthalenecarboxaldehyde19523-57-0 2-[(1-Naphthalenyloxy)methyl]oxirane2461-42-9 Ethyl 2-naphthoate3007-91-8 Ethyl 1-naphthalenecarboxylate3007-97-4 2-Acetyl-6-methoxynaphthalene3900-45-6

Elsewhere

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