2H-3-Benzazepin-2-one, 1,3,4,5-tetrahydro-1,5,7,8-tetrahydroxy-
Basic information
- CAS
23824-39-7- Standard SMILES
O=C1NCC(O)c2cc(O)c(O)cc2C1O- InChIKey
BJYXVWFXFVSEGZ-UHFFFAOYSA-N- Molecular formula
- C10H11NO5
- Average molar mass
- 225.2 g/mol
- Monoisotopic mass
- 225.06372245
Names & identifiers
- Preferred name
- 2H-3-Benzazepin-2-one, 1,3,4,5-tetrahydro-1,5,7,8-tetrahydroxy-
- IUPAC
- 1,5,7,8-tetrahydroxy-1,2,3,5-tetrahydro-3-benzazepin-4-one
Names & synonyms
23824-39-72H-3-Benzazepin-2-one, 1,3,4,5-tetrahydro-1,5,7,8-tetrahydroxy-RefChem:1065215BRN 16244911,3,4,5-Tetrahydro-1,5,7,8-tetrahydroxy-2H-3-benzazepin-2-oneDTXSID109466274,5-Dihydro-1H-3-benzazepine-1,2,5,7,8-pentol
Database identifiers
- CAS
23824-39-7- PubChem CID
- 212045
- DTXSID
DTXSID10946627
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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