Pentanoic acid, 4,4-dinitro-, methyl ester

CAS Registry Number®

6921-12-6

CAS Name

Pentanoic acid, 4,4-dinitro-, methyl ester

Molecular Formula

C6H10N2O6

Molecular Mass

206.15

Cite this Page

Pentanoic acid, 4,4-dinitro-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6921-12-6 (retrieved 2024-11-22) (CAS RN: 6921-12-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    145-146 °C @ Press: 8 Torr

  • Density (1)

    1.3078 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C6H10N2O6/c1-6(7(10)11,8(12)13)4-3-5(9)14-2/h3-4H2,1-2H3

InChIKey

InChIKey=XJYBIOQYCBWSAV-UHFFFAOYSA-N

SMILES

C(CCC(OC)=O)(N(=O)=O)(N(=O)=O)C

Canonical SMILES

O=C(OC)CCC(N(=O)=O)(N(=O)=O)C

Other Names for this Substance

  • Pentanoic acid, 4,4-dinitro-, methyl ester
  • Valeric acid, 4,4-dinitro-, methyl ester
  • Methyl 4,4-dinitrovalerate
  • NSC 76734
  • Methyl 4,4-Dinitropentanoate

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