8-Hydroxy-5-deazaisoalloxazine
Basic information
- CAS
133826-05-8- Standard SMILES
Cn1c2cc(=O)ccc-2cc2c(=O)[nH]c(=O)[nH]c21.[H+]- InChIKey
CRCOWBHLRIKIGR-UHFFFAOYSA-O- Molecular formula
- C12H10N3O3+
- Average molar mass
- 244.23 g/mol
- Monoisotopic mass
- 244.07221619
Names & identifiers
- Preferred name
- 8-Hydroxy-5-deazaisoalloxazine
- IUPAC
- hydron;10-methyl-1H-pyrimido[4,5-b]quinoline-2,4,8-trione
Names & synonyms
8-Hmdi8-Hydroxy-5-deazaisoalloxazine
Database identifiers
- CAS
133826-05-8- PubChem CID
- 195752
- DTXSID
DTXSID70928287
Properties
Computed structural properties
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 1
- Complexity
- 622
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Related reactions
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Compound notes
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