Basic information
- CAS
72200-74-9- Standard SMILES
CCC=CCCOC(=O)c1ccccc1- InChIKey
BCOXBEHFBZOJJZ-UHFFFAOYSA-N- Molecular formula
- C13H16O2
- Average molar mass
- 204.26 g/mol
- Monoisotopic mass
- 204.11502975
Overview
Hex-3-en-1-yl benzoate has been reported in Anthemis aciphylla, Nepeta cataria, and other organisms with data available.
Names & identifiers
- Preferred name
- Hex-3-en-1-yl benzoate
- IUPAC
- hex-3-enyl benzoate
Names & synonyms
hex-3-en-1-yl benzoateDTXSID804755572200-74-9RefChem:347347Hex-3-en-1-yl benzoic acid3-Hexen-1-ol,1-benzoic acidDTXCID6027555(Z)-Hex-3-en-1-yl benzoatecis-3-HEXENYLBENZOATESCHEMBL130435benzoic acid hex-3-enyl estercis-3-Hexenyl benzoate, misture of isomers
Show more names
NS00091039
Database identifiers
- CAS
72200-74-9- PubChem CID
- 32809
- DTXSID
DTXSID8047555- EC Number
- 276-454-0
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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