6-Nitrocoumarin

CAS Registry Number®

2725-81-7

CAS Name

6-Nitrocoumarin

Molecular Formula

C9H5NO4

Molecular Mass

191.14

Cite this Page

6-Nitrocoumarin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2725-81-7 (retrieved 2024-12-19) (CAS RN: 2725-81-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    173 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H5NO4/c11-9-4-1-6-5-7(10(12)13)2-3-8(6)14-9/h1-5H

InChIKey

InChIKey=RMERXEXZXIVNBF-UHFFFAOYSA-N

SMILES

N(=O)(=O)C=1C=C2C(OC(=O)C=C2)=CC1

Canonical SMILES

O=C1OC=2C=CC(=CC2C=C1)N(=O)=O

Other Names for this Substance

  • 2H-1-Benzopyran-2-one, 6-nitro-
  • Coumarin, 6-nitro-
  • 6-Nitro-2H-1-benzopyran-2-one
  • 6-Nitrocoumarin
  • NSC 46626

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