Methyl-beta-anilinocrotonate
Basic information
- CAS
4916-22-7- Standard SMILES
COC(=O)/C=C(/C)Nc1ccccc1- InChIKey
LAPKGJRJPQKJKI-HJWRWDBZSA-N- Molecular formula
- C11H13NO2
- Average molar mass
- 191.23 g/mol
- Monoisotopic mass
- 191.09462866
Names & identifiers
- Preferred name
- Methyl-beta-anilinocrotonate
- IUPAC
- methyl (Z)-3-anilinobut-2-enoate
Names & synonyms
4916-22-76PGT4F6MHWmethyl-beta-anilinocrotonateSCHEMBL15164801AKOS004906660Methyl (2Z)-3-(phenylamino)-2-butenoate2-Butenoic acid, 3-(phenylamino)-, methyl ester, (2Z)-
Database identifiers
- CAS
4916-22-7- PubChem CID
- 5705362
- UNII
- 6PGT4F6MHW
- Nikkaji
- J31.444G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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