Fenitropan

CAS Registry Number®

65934-95-4

CAS Name

Fenitropan

Molecular Formula

C13H15NO6

Molecular Mass

281.26

Cite this Page

Fenitropan.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=65934-95-4 (retrieved 2025-02-22) (CAS RN: 65934-95-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    70 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1/C13H15NO6/c1-9(15)19-8-12(14(17)18)13(20-10(2)16)11-6-4-3-5-7-11/h3-7,12-13H,8H2,1-2H3/t12-,13+/s2

InChIKey

InChIKey=AYBALPYBYZFKDS-QWAQRTLVNA-N

SMILES

[C@H]([C@@H](COC(C)=O)N(=O)=O)(OC(C)=O)C1=CC=CC=C1

Canonical SMILES

O=C(OCC(N(=O)=O)C(OC(=O)C)C=1C=CC=CC1)C

Other Names for this Substance

  • 1,3-Propanediol, 2-nitro-1-phenyl-, 1,3-diacetate, (1R,2S)-rel-
  • 1,3-Propanediol, 2-nitro-1-phenyl-, diacetate (ester), (R*,S*)-
  • 1,3-Propanediol, 2-nitro-1-phenyl-, diacetate (ester), (1R,2S)-rel-
  • Fenitropan
  • Volparox

CAS INSIGHTSTM
Samples on a microarray, illustration