Basic information
- CAS
7499-36-7- Standard SMILES
O=C(O)CC1c2ccc3ccccc3c2CCC1c1ccccc1- InChIKey
MDNNIXBDLRFUEB-UHFFFAOYSA-N- Molecular formula
- C22H20O2
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.14632988
Names & identifiers
- Preferred name
- (2-Phenyl-1,2,3,4-tetrahydrophenanthren-1-yl)acetic acid
- IUPAC
- 2-(2-phenyl-1,2,3,4-tetrahydrophenanthren-1-yl)acetic acid
Names & synonyms
7499-36-7NSC407649DTXSID40324752NSC-407649(2-Phenyl-1,2,3,4-tetrahydrophenanthren-1-yl)acetic acid
Database identifiers
- CAS
7499-36-7- PubChem CID
- 348376
- DTXSID
DTXSID40324752
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…