Basic information
- CAS
5449-31-0- Standard SMILES
O=C(O)C(c1ccccc1)C(O)C1CC=CCC1- InChIKey
UUEPQVJAAMNTBT-UHFFFAOYSA-N- Molecular formula
- C15H18O3
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.12559443
Names & identifiers
- Preferred name
- 3-(Cyclohex-3-en-1-yl)-3-hydroxy-2-phenylpropanoic acid
- IUPAC
- 3-cyclohex-3-en-1-yl-3-hydroxy-2-phenylpropanoic acid
Names & synonyms
MLS0026384775449-31-03-(cyclohex-3-en-1-yl)-3-hydroxy-2-phenylpropanoic acidNSC16307CHEMBL1878730DTXSID60280306HMS3089F04NSC38824NSC-16307NSC-38824SMR001547954
Database identifiers
- CAS
5449-31-0- PubChem CID
- 226151
- DTXSID
DTXSID60280306- ChEMBL
CHEMBL1878730
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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