1-Acetoxy-2-methylnaphthalene

C13H12O2CAS 5697-02-9200.24 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C13H12O2
Molar mass
200.24 g/mol
Exact mass
200.0837 Da
Melting point
81–82 °C
logP
3.07Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
5697-02-9
SMILES
CC(=O)Oc1c(C)ccc2ccccc12
InChIKey
WVOAPRDRMLHUMI-UHFFFAOYSA-N
InChI
InChI=1S/C13H12O2/c1-9-7-8-11-5-3-4-6-12(11)13(9)15-10(2)14/h3-8H,1-2H3

Weigh it out

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

Names and synonyms

5 names
  • 1-Naphthalenol, 2-methyl-, 1-acetate
  • 1-Naphthol, 2-methyl-, acetate
  • 1-Naphthalenol, 2-methyl-, acetate
  • 2-Methyl-1-naphthyl acetate
  • 2-Methyl-1-naphthol acetate

Work with 1-Acetoxy-2-methylnaphthalene

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

Vitamin K4573-20-662 % similar Menadiol monoacetate2211-27-059 % similar 1-Naphthyl acetate830-81-957 % similar 2-Methylphenyl acetate533-18-651 % similar 2-Naphthyl acetate1523-11-149 % similar 1-Bromo-2-methylnaphthalene2586-62-146 % similar Pyrogallol triacetate525-52-046 % similar Indoxyl acetate608-08-245 % 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 (4-Phenoxyphenyl)methanol2215-78-3 2-((1-Naphthalenyloxy)methyl)oxirane2461-42-9 Methyl 1-naphthylacetate2876-78-0 Ethyl 2-naphthoate3007-91-8

Elsewhere

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