Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, hydrate (1:1)
CAS Registry Number®
205680-84-8
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CAS Name
Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, hydrate (1:1)Molecular Formula
C10H7NO6.H2OCite this Page
Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, hydrate (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=205680-84-8 (retrieved ) (CAS RN: 205680-84-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C10H7NO6.H2O/c12-4-7(5-13)8-3-6(10(14)15)1-2-9(8)11(16)17;/h1-5,7H,(H,14,15);1H2
InChIKey
InChIKey=SWNCDLAMOWGSKH-UHFFFAOYSA-N
SMILES
C(C=O)(C=O)C1=C(N(=O)=O)C=CC(C(O)=O)=C1.O
Canonical SMILES
O=CC(C=O)C1=CC(=CC=C1N(=O)=O)C(=O)O.O
Other Names for this Substance
- Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, hydrate (1:1)
- Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, monohydrate
