6H-Anthra(9,1-cd)isoselenazole-3-carboxylic acid, 6-oxo-
Basic information
- CAS
6337-10-6- Standard SMILES
O=C(O)c1ccc2c3c(n[se]c13)-c1ccccc1C2=O- InChIKey
WTHVYLOLMZIBJP-UHFFFAOYSA-N- Molecular formula
- C15H7NO3Se
- Average molar mass
- 328.19 g/mol
- Monoisotopic mass
- 328.95911
Names & identifiers
- Preferred name
- 6H-Anthra(9,1-cd)isoselenazole-3-carboxylic acid, 6-oxo-
- IUPAC
- 8-oxo-14-selena-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene-12-carboxylic acid
Names & synonyms
6337-10-6NSC399466H-Anthra(9,1-cd)isoselenazole-3-carboxylic acid, 6-oxo-NSC 39946NSC-399466H-Anthra[9,1-cd]isoselenazole-3-carboxylic acid, 6-oxo-6-oxo-6h-anthra[9,1-cd][1,2]selenazole-3-carboxylic acidUTC5HHW435DTXSID902127716-Oxo-6H-anthra(9,1-cd)isoselenazole-3-carboxylic acid
Database identifiers
- CAS
6337-10-6- PubChem CID
- 236906
- DTXSID
DTXSID90212771- UNII
- UTC5HHW435
Properties
Computed structural properties
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…