Basic information
- CAS
100311-33-9- Standard SMILES
C=CCc1cc(C(=O)O)cc(CC=C)c1O- InChIKey
QIQJOLWVADYXBG-UHFFFAOYSA-N- Molecular formula
- C13H14O3
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.0942943
Names & identifiers
- Preferred name
- Benzoic acid, 3,5-diallyl-4-hydroxy-
- IUPAC
- 4-hydroxy-3,5-bis(prop-2-enyl)benzoic acid
Names & synonyms
3,5-Diallyl-4-hydroxybenzoic acidBENZOIC ACID, 3,5-DIALLYL-4-HYDROXY-BRN 3266017100311-33-9DTXSID901431524-10-00-01129 (Beilstein Handbook Reference)RefChem:327039DTXCID5065643SCHEMBL43730394-hydroxy-3,5-di(prop-2-en-1-yl)benzoic acid
Database identifiers
- CAS
100311-33-9- PubChem CID
- 57765
- DTXSID
DTXSID90143152- Nikkaji
- J73.929D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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