Butanoic acid, 3-oxo-, (4-nitrophenyl)methyl ester

CAS Registry Number®

61312-84-3

CAS Name

Butanoic acid, 3-oxo-, (4-nitrophenyl)methyl ester

Molecular Formula

C11H11NO5

Molecular Mass

237.21

Cite 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 2024-11-21) (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

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