3,4,5-Trimethoxy-2-nitrobenzoic acid

CAS Registry Number®

66907-52-6
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CAS Name

3,4,5-Trimethoxy-2-nitrobenzoic acid

Molecular Formula

C10H11NO7

Molecular Mass

257.20

Cite this Page

3,4,5-Trimethoxy-2-nitrobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=66907-52-6 (retrieved 2024-05-03) (CAS RN: 66907-52-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    163-164 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H11NO7/c1-16-6-4-5(10(12)13)7(11(14)15)9(18-3)8(6)17-2/h4H,1-3H3,(H,12,13)

InChIKey

InChIKey=VPVAFLFJAAPHKI-UHFFFAOYSA-N

SMILES

O(C)C1=C(N(=O)=O)C(C(O)=O)=CC(OC)=C1OC

Canonical SMILES

O=C(O)C1=CC(OC)=C(OC)C(OC)=C1N(=O)=O

Other Names for this Substance

  • Benzoic acid, 3,4,5-trimethoxy-2-nitro-
  • 3,4,5-Trimethoxy-2-nitrobenzoic acid
  • 2-Nitro-3,4,5-trimethoxybenzoic acid
  • NSC 100936

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