Basic information
- CAS
100311-35-1- Standard SMILES
C=CCc1cc(C(=O)O)cc(CC=C)c1OCCC- InChIKey
KISJXFJRHVRMSH-UHFFFAOYSA-N- Molecular formula
- C16H20O3
- Average molar mass
- 260.33 g/mol
- Monoisotopic mass
- 260.1412445
Names & identifiers
- Preferred name
- Benzoic acid, 3,5-diallyl-4-propoxy-
- IUPAC
- 3,5-bis(prop-2-enyl)-4-propoxybenzoic acid
Names & synonyms
3,5-Diallyl-4-propoxybenzoic acidBENZOIC ACID, 3,5-DIALLYL-4-PROPOXY-BRN 2657489100311-35-1DTXSID10143154RefChem:327041DTXCID50656453,5-Di(prop-2-en-1-yl)-4-propoxybenzoic acid
Database identifiers
- CAS
100311-35-1- PubChem CID
- 57767
- DTXSID
DTXSID10143154- Nikkaji
- J73.931F
Properties
Computed structural properties
- XLogP
- 4.5
- 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
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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