1H-Benz(e)indene-1,3(2H)-dione, 2,2-dihydroxy-
Basic information
- CAS
74877-24-0- Standard SMILES
O=C1c2ccc3ccccc3c2C(=O)C1(O)O- InChIKey
YLRJWSJUOMSWRX-UHFFFAOYSA-N- Molecular formula
- C13H8O4
- Average molar mass
- 228.2 g/mol
- Monoisotopic mass
- 228.04225873
Names & identifiers
- Preferred name
- 1H-Benz(e)indene-1,3(2H)-dione, 2,2-dihydroxy-
- IUPAC
- 2,2-dihydroxycyclopenta[a]naphthalene-1,3-dione
Names & synonyms
74877-24-0Benzo(e)nnhydrin1H-Benz(e)indene-1,3(2H)-dione, 2,2-dihydroxy-DTXSID609963742,2-Dihydroxy-1H-cyclopenta[a]naphthalene-1,3(2H)-dione
Database identifiers
- CAS
74877-24-0- PubChem CID
- 186902
- DTXSID
DTXSID60996374
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 374
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Compound notes
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