2-Benzoyl-4,5-dihydroxy-3-methyl-1,2-oxazinane-6-carboxylic acid
Basic information
- CAS
91958-74-6- Standard SMILES
CC1C(O)C(O)C(C(=O)O)ON1C(=O)c1ccccc1- InChIKey
AFKAJHAHBMFBCF-UHFFFAOYSA-N- Molecular formula
- C13H15NO6
- Average molar mass
- 281.26 g/mol
- Monoisotopic mass
- 281.0899372
Names & identifiers
- Preferred name
- 2-Benzoyl-4,5-dihydroxy-3-methyl-1,2-oxazinane-6-carboxylic acid
- IUPAC
- 2-benzoyl-4,5-dihydroxy-3-methyloxazinane-6-carboxylic acid
Names & synonyms
91958-74-62-Benzoyl-4,5-dihydroxy-3-methyl-1,2-oxazinane-6-carboxylic acidNSC173131DTXSID70305998NSC-173131
Database identifiers
- CAS
91958-74-6- PubChem CID
- 299805
- DTXSID
DTXSID70305998
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 381
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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