Ethyl 3-nitro-β-oxobenzenepropanoate
Properties
- Molecular formula
- C11H11NO5
- Molar mass
- 237.21 g/mol
- Exact mass
- 237.0637 Da
- Melting point
- 75–77 °C
- logP
- 1.73Crippen estimate
- Polar surface area
- 86.5 Ų
- H-bond donors / acceptors
- 0 / 5
- Rotatable bonds
- 5
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
52119-38-7SMILES
CCOC(=O)CC(=O)c1cccc([N+](=O)[O-])c1InChIKey
DSOJMGUVLXTQSE-UHFFFAOYSA-NInChI
InChI=1S/C11H11NO5/c1-2-17-11(14)7-10(13)8-4-3-5-9(6-8)12(15)16/h3-6H,2,7H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzenepropanoic acid, 3-nitro-β-oxo-, ethyl ester
- Acetic acid, (m-nitrobenzoyl)-, ethyl ester
- Ethyl(m-nitrobenzoyl)acetate
- Ethyl (3-nitrobenzoyl)acetate
- Ethyl 3-(3-nitrophenyl)-3-oxopropanoate
- Ethyl 3-nitro-beta-oxobenzenepropanoate
Work with Ethyl 3-nitro-β-oxobenzenepropanoate
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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds