1,1-Dimethylethyl 4-nitrobenzenepropanoate

CAS Registry Number®

103790-47-2
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CAS Name

1,1-Dimethylethyl 4-nitrobenzenepropanoate

Molecular Formula

C13H17NO4

Molecular Mass

251.28

Cite this Page

1,1-Dimethylethyl 4-nitrobenzenepropanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=103790-47-2 (retrieved 2024-08-14) (CAS RN: 103790-47-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    53-54 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C13H17NO4/c1-13(2,3)18-12(15)9-6-10-4-7-11(8-5-10)14(16)17/h4-5,7-8H,6,9H2,1-3H3

InChIKey

InChIKey=OIEYJDIVNUPPKM-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(OC(C)(C)C)CCC1=CC=C(C=C1)N(=O)=O

Other Names for this Substance

  • Benzenepropanoic acid, 4-nitro-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 4-nitrobenzenepropanoate