Benzoic acid, 3-methoxy-5-nitro-, methyl ester

CAS Registry Number®

78238-13-8
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CAS Name

Benzoic acid, 3-methoxy-5-nitro-, methyl ester

Molecular Formula

C9H9NO5

Molecular Mass

211.17

Cite this Page

Benzoic acid, 3-methoxy-5-nitro-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=78238-13-8 (retrieved 2024-06-17) (CAS RN: 78238-13-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    88-90 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C9H9NO5/c1-14-8-4-6(9(11)15-2)3-7(5-8)10(12)13/h3-5H,1-2H3

InChIKey

InChIKey=OSTVXCVLGHROLX-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3-methoxy-5-nitro-, methyl ester
  • 3-Methoxy-5-nitrobenzoic acid methyl ester
  • Methyl 3-methoxy-5-nitrobenzoate

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