Hex-3-enyl 2-aminobenzoate
Basic information
- Standard SMILES
CCC=CCCOC(=O)c1ccccc1N- InChIKey
VZWCCPAVZNSCEO-UHFFFAOYSA-N- Molecular formula
- C13H17NO2
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.12592879
Names & identifiers
- Preferred name
- Hex-3-enyl 2-aminobenzoate
- IUPAC
- hex-3-enyl 2-aminobenzoate
Names & synonyms
hex-3-enyl 2-aminobenzoateSCHEMBL891668Hex-3-en-1-yl 2-aminobenzoateDTXSID50867145
Database identifiers
- PubChem CID
- 47616
- DTXSID
DTXSID50867145
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 238
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Related reactions
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Compound notes
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