4-(4-Methylphenanthren-1-yl)butanoic acid
Basic information
- CAS
6321-67-1- Standard SMILES
Cc1ccc(CCCC(=O)O)c2ccc3ccccc3c12- InChIKey
OPECTSSXLXTIME-UHFFFAOYSA-N- Molecular formula
- C19H18O2
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.13067981
Names & identifiers
- Preferred name
- 4-(4-Methylphenanthren-1-yl)butanoic acid
- IUPAC
- 4-(4-methylphenanthren-1-yl)butanoic acid
Names & synonyms
6321-67-14-(4-methylphenanthren-1-yl)butanoic acidNSC30827DTXSID00283295NSC-30827
Database identifiers
- CAS
6321-67-1- PubChem CID
- 232863
- DTXSID
DTXSID00283295
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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