1,2,3,4,5,6,7,8,8a,9,10,10a-Dodecahydrophenanthrene-9,10-dicarboxylic acid
Basic information
- CAS
51037-21-9- Standard SMILES
O=C(O)C1C2CCCCC2=C2CCCCC2C1C(=O)O- InChIKey
AXNMRIPCEFWJAQ-UHFFFAOYSA-N- Molecular formula
- C16H22O4
- Average molar mass
- 278.34 g/mol
- Monoisotopic mass
- 278.15180918
Names & identifiers
- Preferred name
- 1,2,3,4,5,6,7,8,8a,9,10,10a-Dodecahydrophenanthrene-9,10-dicarboxylic acid
- IUPAC
- 1,2,3,4,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-9,10-dicarboxylic acid
Names & synonyms
51037-21-91,2,3,4,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-9,10-dicarboxylic acid9,10-phenanthrenedicarboxylic acid, 1,2,3,4,5,6,7,8,8a,9,10,10a-dodecahydro-NSC159440Oprea1_435819MLS000105754CHEMBL1569721DTXSID90965316HMS2406I17STK014415AKOS005377337NSC-159440
Show more names
SMR0001027311,2,3,4,5,6,7,8,8a,9,10,10a-dodecahydro-9,10-phenanthrenedicarboxylic acid
Database identifiers
- CAS
51037-21-9- PubChem CID
- 293120
- DTXSID
DTXSID90965316- ChEMBL
CHEMBL1569721
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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