p-Cymeme-2-carboxylic acid, 6-allyl-3-hydroxy-
Basic information
- CAS
101077-09-2- Standard SMILES
C=CCc1cc(C(C)C)c(O)c(C(=O)O)c1C- InChIKey
MYBSMVQMPYKREA-UHFFFAOYSA-N- Molecular formula
- C14H18O3
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.12559443
Names & identifiers
- Preferred name
- p-Cymeme-2-carboxylic acid, 6-allyl-3-hydroxy-
- IUPAC
- 2-hydroxy-6-methyl-3-propan-2-yl-5-prop-2-enylbenzoic acid
Names & synonyms
BRN 2649835p-CYMEME-2-CARBOXYLIC ACID, 6-ALLYL-3-HYDROXY-6-Allyl-3-hydroxy-p-cymeme-2-carboxylic acid101077-09-2DTXSID10143710RefChem:367623DTXCID90662012-Hydroxy-6-methyl-3-(propan-2-yl)-5-(prop-2-en-1-yl)benzoic acid
Database identifiers
- CAS
101077-09-2- PubChem CID
- 58172
- DTXSID
DTXSID10143710- Nikkaji
- J85.285F
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 285
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Compound notes
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