Basic information
- CAS
98879-73-3- Standard SMILES
NC(C(=O)O)C(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
KZRZEMYAHSIHNE-UHFFFAOYSA-N- Molecular formula
- C9H8N2O5
- Average molar mass
- 224.17 g/mol
- Monoisotopic mass
- 224.04332136
Names & identifiers
- Preferred name
- 2-Amino-3-(4-nitrophenyl)-3-oxopropanoic acid
- IUPAC
- 2-amino-3-(4-nitrophenyl)-3-oxopropanoic acid
- English name
- Glycine, 2-p-nitrobenzoyl- (6CI)
- Molecular formula
- C9H8N2O5
- Molecular weight
- 224.17
Names & synonyms
Glycine, 2-p-nitrobenzoyl- (6CI)2-AMino-3-(4-nitrophenyl)-3-oxopropanoic acid
Database identifiers
- CAS
98879-73-3- PubChem CID
- 121227532
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- Boiling point
- 470.8 · 470.8±45.0 °C(Predicted)
- Density
- 1.514 · 1.514±0.06 g/cm3(Predicted)
- pka
- -0.47 · -0.47±0.34(Predicted)
Chemistry & industry
Suppliers1 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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