Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, hydrate (1:1)
3-(1,3-dioxopropan-2-yl)-4-nitrobenzoic acid;hydrate
Also Known As: 3-(1,3-dioxopropan-2-yl)-4-nitrobenzoic acid hydrate|C-5747|3-(1,3-dioxopropan-2-yl)-4-nitrobenzoic acid;hydrate|2-(5-Hydroxycarbonyl-2-nitrophenyl)-malondialdehyde monohydrate|Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, hydrate (1:1)|2-(5-Carboxy-2-nitrophenyl)malondialdehyde monohydrate|2-[3-(Trifluoromethyl)benzylsulfonyl]-thioacetamide|3-(1,3-dioxopropan-2-yl)-4-nitrobenzoicacidhydrate|3-(1,3-Dioxoprop-2-yl)-4-nitrobenzoic acid monohydrate|3-(1,3-dioxopropan-2-yl)-4-nitro-benzoic Acid Hydrate|3-(1,3-dioxopropan-2-yl)-4-nitrobenzoic acid,hydrate|3-(1-formyl-2-oxo-ethyl)-4-nitro-benzoic acid;hydrate|2-(5-Hydroxycarbonyl-2-nitrophenyl)malondialdehyde hydrate|2-(5-Hydroxycarbonyl-2-nitrophenyl)malondialdehyde 1-hydrate|3-(1,3-Dioxopropan-2-yl)-4-nitrobenzoic acid--water (1/1)
| Molecular Formula | C10H9NO7 |
|---|---|
| Molecular Weight | 255.0379 g/mol |
| LogP | -0.0503 |
| Topological Polar Surface Area | 146.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.0379 |
| Monoisotopic Mass | 255.0379 |
| Heavy Atoms | 18 |
| Complexity | 488.9996 |
Chemical Identifiers
| CAS Number | 175276-83-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)C(C=O)C=O)[N+](=O)[O-].O |
Product Overview
Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, hydrate (1:1) (CAS 175276-83-2), with molecular formula C10H9NO7 and molecular weight 255.0379 g/mol. IUPAC: 3-(1,3-dioxopropan-2-yl)-4-nitrobenzoic acid;hydrate.