Benzeneacetic acid, α-methyl-4-nitro-, methyl ester

CAS Registry Number®

50415-69-5

CAS Name

Benzeneacetic acid, α-methyl-4-nitro-, methyl ester

Molecular Formula

C10H11NO4

Molecular Mass

209.20

Cite this Page

Benzeneacetic acid, α-methyl-4-nitro-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=50415-69-5 (retrieved 2024-11-24) (CAS RN: 50415-69-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    151 °C @ Press: 7 Torr

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C10H11NO4/c1-7(10(12)15-2)8-3-5-9(6-4-8)11(13)14/h3-7H,1-2H3

InChIKey

InChIKey=NWHFCRJVWNLNHP-UHFFFAOYSA-N

SMILES

C(C(OC)=O)(C)C1=CC=C(N(=O)=O)C=C1

Canonical SMILES

O=C(OC)C(C1=CC=C(C=C1)N(=O)=O)C

Other Names for this Substance

  • Benzeneacetic acid, α-methyl-4-nitro-, methyl ester
  • Hydratropic acid, p-nitro-, methyl ester
  • Methyl α-methyl-4-nitrobenzeneacetate
  • Methyl 2-(4-nitrophenyl)propionate
  • 2-(4-Nitrophenyl)propionic acid methyl ester

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