Cordiachrome A
Completing data — refresh the page later to see the latest
Basic information
- CAS
38176-74-8- Standard SMILES
CC1=CCC[C@@]2(C)CC3=C(C[C@@H]12)C(=O)C=CC3=O- InChIKey
GXIJLOWPICPBSR-BBRMVZONSA-N- Molecular formula
- C16H18O2
- Average molar mass
- 242.31 g/mol
- Monoisotopic mass
- 242.13067981
Names & identifiers
- Preferred name
- Cordiachrome A
- IUPAC
- (8aR,10aS)-8,10a-dimethyl-6,8a,9,10-tetrahydro-5H-anthracene-1,4-dione
- English name
- Cordiachrome A
- Molecular formula
- C16H18O2
- Molecular weight
- 242.31
Names & synonyms
cordiachrome ARefChem:127966(8aR,10aS)-8,10a-dimethyl-6,8a,9,10-tetrahydro-5H-anthracene-1,4-dione38176-74-8CHEMBL2551031,4-Anthracenedione, 5,6,8a,9,10,10a-hexahydro-8,10a-dimethyl-, (8aR,10aS)-rel-
Database identifiers
- CAS
38176-74-8- PubChem CID
- 44448148
- ChEMBL
CHEMBL255103
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 533
Physicochemical properties
- Boiling point
- 361.9 · 361.9±42.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…