4-(Phenanthren-9-yl)butanoic acid
Basic information
- CAS
68151-16-6- Standard SMILES
O=C(O)CCCc1cc2ccccc2c2ccccc12- InChIKey
VBALUTDUDGQZGE-UHFFFAOYSA-N- Molecular formula
- C18H16O2
- Average molar mass
- 264.3 g/mol
- Monoisotopic mass
- 264.11502975
Names & identifiers
- Preferred name
- 4-(Phenanthren-9-yl)butanoic acid
- IUPAC
- 4-phenanthren-9-ylbutanoic acid
Names & synonyms
68151-16-64-(PHENANTHREN-9-YL)BUTANOIC ACIDDTXSID20500037RefChem:289276DTXCID804508479-Phenanthrenebutanoic acid4-phenanthren-9-ylbutanoic acid
Database identifiers
- CAS
68151-16-6- PubChem CID
- 12486010
- DTXSID
DTXSID20500037
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
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Compound notes
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