Basic information
- Standard SMILES
CC(=O)OCc1cccc(C#N)c1- InChIKey
HASPIPUGHLZBHX-UHFFFAOYSA-N- Molecular formula
- C10H9NO2
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.06332853
Names & identifiers
- Preferred name
- 3-(Acetoxymethyl)benzonitrile
- IUPAC
- (3-cyanophenyl)methyl acetate
Names & synonyms
3-(Acetoxymethyl)benzonitrile95827-10-43-Cyanobenzyl acetate(3-cyanophenyl)methyl AcetateMFCD20265240Benzonitrile, 3-[(acetyloxy)methyl]-3-Cyanobenzylacetatem-cyanobenzyl acetateSCHEMBL2659356HASPIPUGHLZBHX-UHFFFAOYSA-N3-(Acetoxymethyl)benzonitrile, AldrichCPRF098105
Database identifiers
- PubChem CID
- 10012422
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 228
Related reactions
1 records
Compound notes
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