4-Methyl-4-nitroheptanedioic acid

CAS Registry Number®

5437-39-8
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CAS Name

4-Methyl-4-nitroheptanedioic acid

Molecular Formula

C8H13NO6

Molecular Mass

219.19

Cite this Page

4-Methyl-4-nitroheptanedioic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5437-39-8 (retrieved 2024-07-02) (CAS RN: 5437-39-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    152 °C @ Press: 1-2 Torr

  • Melting Point (2)

    114-115 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H13NO6/c1-8(9(14)15,4-2-6(10)11)5-3-7(12)13/h2-5H2,1H3,(H,10,11)(H,12,13)

InChIKey

InChIKey=QSVSXKWXZSDWIU-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Heptanedioic acid, 4-methyl-4-nitro-
  • 4-Methyl-4-nitroheptanedioic acid
  • NSC 16050