Butanoic acid, 3-oxo-, (4-nitrophenyl)methyl ester
CAS Registry Number®
61312-84-3
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CAS Name
Butanoic acid, 3-oxo-, (4-nitrophenyl)methyl esterMolecular Formula
C11H11NO5Molecular Mass
237.21Cite this Page
Butanoic acid, 3-oxo-, (4-nitrophenyl)methyl ester. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=61312-84-3 (retrieved ) (CAS RN: 61312-84-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
47-49 °C
Source(s)
- (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.
Other Names and Identifiers
InChI
InChI=1S/C11H11NO5/c1-8(13)6-11(14)17-7-9-2-4-10(5-3-9)12(15)16/h2-5H,6-7H2,1H3
InChIKey
InChIKey=KQPGVCMZXFBYMM-UHFFFAOYSA-N
SMILES
C(OC(CC(C)=O)=O)C1=CC=C(N(=O)=O)C=C1
Canonical SMILES
O=C(OCC1=CC=C(C=C1)N(=O)=O)CC(=O)C
Other Names for this Substance
- Butanoic acid, 3-oxo-, (4-nitrophenyl)methyl ester
- Acetoacetic acid, p-nitrobenzyl ester
- p-Nitrobenzyl 3-oxobutanoate
- 4-Nitrobenzyl acetoacetate
- p-Nitrobenzyl acetoacetate
