1-Naphthyl acetate

C12H10O2CAS 830-81-9186.21 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
44.5 °C
logP
2.77Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, P362+P364

Identifiers

CAS number
830-81-9
SMILES
CC(=O)Oc1cccc2ccccc12
InChIKey
VGKONPUVOVVNSU-UHFFFAOYSA-N
InChI
InChI=1S/C12H10O2/c1-9(13)14-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3

Weigh it out

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

Names and synonyms

11 names
  • 1-Naphthalenol, 1-acetate
  • 1-Naphthol, acetate
  • 1-Naphthalenol, acetate
  • α-Naphthyl acetate
  • 1-Acetoxynaphthalene
  • α-Naphthol acetate
  • α-Acetoxynaphthalene
  • Acetic acid 1-naphthyl ester
  • NSC 9846
  • Naphthalen-1-yl acetate
  • 1-Naphthalen-1-yl acetate

Work with 1-Naphthyl acetate

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

Pyrogallol triacetate525-52-061 % similar 2-Chlorophenyl acetate4525-75-161 % similar Alpha-naphthyl propionate3121-71-960 % similar 2-Methoxyphenyl acetate15212-03-058 % similar 2-Methylphenyl acetate533-18-658 % similar 8-Acetoxyquinoline2598-29-057 % similar 4-Acetoxyindole5585-96-657 % similar 1-Acetoxy-2-methylnaphthalene5697-02-957 % 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 (1,1'-Biphenyl)-2,2'-diol1806-29-7 1,4-Benzenedicarboxaldehyd2065232-74-6 Methyl 2-naphthoate2459-25-8 6-Methoxy-2-naphthaldehyde3453-33-6 4-Methyl-1-naphthoic acid4488-40-8

Elsewhere

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