Basic information
- Standard SMILES
COC(=O)c1cc(C#N)c(C2CC2)cc1C- InChIKey
JRLPNHGWPOTGJU-UHFFFAOYSA-N- Molecular formula
- C13H13NO2
- Average molar mass
- 215.25 g/mol
Names & identifiers
- Preferred name
- Methyl 5-cyano-4-cyclopropyl-2-methylbenzoate
- IUPAC
- methyl 5-cyano-4-cyclopropyl-2-methylbenzoate
Names & synonyms
SCHEMBL12488889JRLPNHGWPOTGJU-UHFFFAOYSA-Nmethyl 5-cyano-4-cyclopropyl-2-methylbenzoate
Database identifiers
- PubChem CID
- 68288751
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 326
Related reactions
1 records
Compound notes
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