Basic information
- CAS
32773-99-2- Standard SMILES
NC(=O)C1CCCCC1OC(=O)c1cc(=O)c2ccccc2o1- InChIKey
UKQDPWYXWLDSKH-UHFFFAOYSA-N- Molecular formula
- C17H17NO5
- Average molar mass
- 315.32 g/mol
- Monoisotopic mass
- 315.11067264
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, 2-(aminocarbonyl)cyclohexyl ester
- IUPAC
- (2-carbamoylcyclohexyl) 4-oxochromene-2-carboxylate
Names & synonyms
32773-99-24-Oxo-4H-1-benzopyran-2-carboxylic acid 2-(aminocarbonyl)cyclohexyl ester4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, 2-(aminocarbonyl)cyclohexyl esterRefChem:297189DTXSID609544192-[(4-Oxo-4H-1-benzopyran-2-carbonyl)oxy]cyclohexane-1-carboximidic acid
Database identifiers
- CAS
32773-99-2- PubChem CID
- 208653
- DTXSID
DTXSID60954419
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 541
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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