Basic information
- CAS
6328-53-6- Standard SMILES
C/C=C\COC(=O)c1ccc(N)cc1- InChIKey
SGFLWUUHFLTYJE-IHWYPQMZSA-N- Molecular formula
- C11H13NO2
- Average molar mass
- 191.23 g/mol
- Monoisotopic mass
- 191.09462866
Names & identifiers
- Preferred name
- [(Z)-but-2-enyl] 4-aminobenzoate
- IUPAC
- [(Z)-but-2-enyl] 4-aminobenzoate
Names & synonyms
6328-53-6[(Z)-but-2-enyl] 4-aminobenzoateNSC43698DTXSID90418014NSC-43698(2Z)-But-2-en-1-yl 4-aminobenzoate
Database identifiers
- CAS
6328-53-6- PubChem CID
- 5355697
- DTXSID
DTXSID90418014
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 205
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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