2-Propenoic acid, 2-cyano-3-(2-methoxyphenyl)-
Basic information
- CAS
92422-87-2- Standard SMILES
COc1ccccc1C=C(C#N)C(=O)O- InChIKey
MLSFNPJOOCGHKT-UHFFFAOYSA-N- Molecular formula
- C11H9NO3
- Average molar mass
- 203.19 g/mol
- Monoisotopic mass
- 203.05824315
Names & identifiers
- Preferred name
- 2-Propenoic acid, 2-cyano-3-(2-methoxyphenyl)-
- IUPAC
- 2-cyano-3-(2-methoxyphenyl)prop-2-enoic acid
Names & synonyms
2-cyano-3-(2-methoxyphenyl)prop-2-enoic acid2-Propenoic acid, 2-cyano-3-(2-methoxyphenyl)-92422-87-2SCHEMBL15740336DTXSID10327235AB71970(2Z)-2-CYANO-3-(2-METHOXYPHENYL)ACRYLIC ACID49711-50-4
Database identifiers
- CAS
92422-87-2- PubChem CID
- 367935
- DTXSID
DTXSID10327235
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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