Basic information
- CAS
100347-69-1- Standard SMILES
C=CCOc1c(CC=C)cc(C(=O)O)cc1CC=C- InChIKey
AFOPLOLSLKSEAK-UHFFFAOYSA-N- Molecular formula
- C16H18O3
- Average molar mass
- 258.31 g/mol
- Monoisotopic mass
- 258.12559443
Names & identifiers
- Preferred name
- Benzoic acid, 4-(allyloxy)-3,5-diallyl-
- IUPAC
- 4-prop-2-enoxy-3,5-bis(prop-2-enyl)benzoic acid
Names & synonyms
4-Allyloxy-3,5-diallylbenzoic acidBENZOIC ACID, 4-(ALLYLOXY)-3,5-DIALLYL-100347-69-1DTXSID70143216RefChem:327459DTXCID20657073,5-Di(prop-2-en-1-yl)-4-[(prop-2-en-1-yl)oxy]benzoic acid
Database identifiers
- CAS
100347-69-1- PubChem CID
- 57809
- DTXSID
DTXSID70143216- Nikkaji
- J73.802F
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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