Basic information
- Standard SMILES
C=CC(=O)CNc1cccc(C(=O)OC)c1- InChIKey
OTOWNKMUEBMOLY-UHFFFAOYSA-N- Molecular formula
- C12H13NO3
- Average molar mass
- 219.24 g/mol
Names & identifiers
- Preferred name
- 3-(Acryloylmethylamino)benzoic Acid Methyl Ester
- IUPAC
- methyl 3-(2-oxobut-3-enylamino)benzoate
Names & synonyms
SCHEMBL694377OTOWNKMUEBMOLY-UHFFFAOYSA-N3-(Acryloylmethylamino)benzoic Acid Methyl Ester
Database identifiers
- PubChem CID
- 66770331
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 275
Related reactions
12 records
Compound notes
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