9-Phenanthrenecarboxylicacid, 1,2,3,4-tetrahydro-
Basic information
- CAS
5441-07-6- Standard SMILES
O=C(O)c1cc2c(c3ccccc13)CCCC2- InChIKey
GWLABGLYXTZVSE-UHFFFAOYSA-N- Molecular formula
- C15H14O2
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.09937969
Names & identifiers
- Preferred name
- 9-Phenanthrenecarboxylicacid, 1,2,3,4-tetrahydro-
- IUPAC
- 1,2,3,4-tetrahydrophenanthrene-9-carboxylic acid
Names & synonyms
5441-07-6NSC20573DTXSID40281159NSC-20573DS-0094709-Phenanthrenecarboxylicacid, 1,2,3,4-tetrahydro-
Database identifiers
- CAS
5441-07-6- PubChem CID
- 228017
- DTXSID
DTXSID40281159
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 299
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Compound notes
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