3-Methylphenyl acetate
Properties
- Molecular formula
- C9H10O2
- Molar mass
- 150.18 g/mol
- Exact mass
- 150.0681 Da
- Density
- 1.048 g/mL (at 20 °C)
- Melting point
- 12 °C
- Boiling point
- 212 °C
- logP
- 1.92Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Identifiers
CAS number
122-46-3SMILES
CC(=O)Oc1cccc(C)c1InChIKey
OTGAHJPFNKQGAE-UHFFFAOYSA-NInChI
InChI=1S/C9H10O2/c1-7-4-3-5-9(6-7)11-8(2)10/h3-6H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
15 names · show all
- Acetic acid, 3-methylphenyl ester
- Acetic acid, m-tolyl ester
- Acetic acid m-cresol ester
- m-Acetoxytoluene
- Cresatin
- m-Cresyl acetate
- Kresatin
- m-Tolyl acetate
- m-Cresol acetate
- 3-Acetoxytoluene
- 3-Cresyl acetate
- 3-Tolyl acetate
- 3-Methylphenol acetate
- m-Methylphenyl acetate
- NSC 4795
Work with 3-Methylphenyl 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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1,3-Dihydroxybenzene diacetate108-58-775 % similar
Phenyl acetate122-79-266 % similar
3-Fluorophenyl acetate701-83-764 % similar
Acetylresorcinol102-29-462 % similar
4-Methylphenyl acetate140-39-661 % similar
1-[3-(Acetyloxy)phenyl]ethanone2454-35-560 % similar
3-(Acetyloxy)benzaldehyde34231-78-258 % similar
3-(Acetyloxy)benzoic acid6304-89-857 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds