Basic information
- Standard SMILES
O=C(O)C1CSCN1C(=O)OCc1ccc([N+](=O)[O-])cc1- InChIKey
CJBLGZPOKBRSTE-UHFFFAOYSA-N- Molecular formula
- C12H12N2O6S
- Average molar mass
- 312.3 g/mol
- Monoisotopic mass
- 312.04160728
Names & identifiers
- Preferred name
- 3-[(4-Nitrophenyl)methoxycarbonyl]-1,3-thiazolidine-4-carboxylic acid
- IUPAC
- 3-[(4-nitrophenyl)methoxycarbonyl]-1,3-thiazolidine-4-carboxylic acid
Names & synonyms
SCHEMBL9386399
Database identifiers
- PubChem CID
- 19900328
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 418
Related reactions
1 records
Compound notes
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