Basic information
- CAS
94886-36-9- Standard SMILES
CC=CCC(C(=O)O)c1ccc(-c2ccccc2)cc1- InChIKey
ZVRCODPBROUJIT-UHFFFAOYSA-N- Molecular formula
- C18H18O2
- Average molar mass
- 266.3 g/mol
- Monoisotopic mass
- 266.13067981
Names & identifiers
- Preferred name
- Xenyhexenic acid, (+)-
- IUPAC
- 2-(4-phenylphenyl)hex-4-enoic acid
Names & synonyms
Xenyhexenic acid, (+)-UNII-473F77SB8I473F77SB8I(1,1'-Biphenyl)-4-acetic acid, alpha-2-butenyl-, (+)-(1,1'-Biphenyl)-4-acetic acid, alpha-2-buten-1-yl-, (+)-94886-45-0Xenyhexenic acid, (-)-406UY95V7IUNII-406UY95V7ISCHEMBL5158399CHEMBL4297084DTXSID90862492
Show more names
94886-36-9NS001273652-([1,1'-Biphenyl]-4-yl)hex-4-enoic acid(1,1'-Biphenyl)-4-acetic acid, alpha-2-butenyl-, (-)-(1,1'-Biphenyl)-4-acetic acid, alpha-2-buten-1-yl-, (-)-
Database identifiers
- CAS
94886-36-9、94886-45-0、95040-85-0、964-82-9- PubChem CID
- 72133
- DTXSID
DTXSID90862492- ChEMBL
CHEMBL4297084
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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