structure of 1-Methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid

1-Methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid

CAS No.: 100047-66-3
M. Wt: 154.12300
M. Fa: C6H6N2O3
InChI Key: VSWNRKPYWTWWBV-UHFFFAOYSA-N
Appearance: off-white solid

Names and Identifiers of 100047-66-3

CAS Number

100047-66-3

EC Number

815-737-0

MDL Number

MFCD03982044

IUPAC Name

1-methyl-6-oxopyridazine-3-carboxylic acid

InChI

InChI=1S/C6H6N2O3/c1-8-5(9)3-2-4(7-8)6(10)11/h2-3H,1H3,(H,10,11)

InChIKey

VSWNRKPYWTWWBV-UHFFFAOYSA-N

Canonical SMILES

CN1C(=O)C=CC(=N1)C(=O)O

UNSPSC Code

12352100

Physical and chemical properties of 100047-66-3

Acidity coefficient

-2.98±0.20(Predicted)

Boiling Point

316.5ºC at 760mmHg

Density

1.44±0.1 g/cm3(Predicted)

Exact Mass

154.03800

Flash Point

145.2ºC

Index of Refraction

1.608

Melting Point

239 °C(Solv: water (7732-18-5))

Molecular Formula

C6H6N2O3

Molecular Weight

154.12300

PSA

72.19000

Storage condition

2-8°C

Vapour Pressure

8.73E-05mmHg at 25°C

Safety Information of 100047-66-3

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Retrosynthesis analysis of 100047-66-3

  • Route#1

    Cas:867130-64-1
    Cas:100047-66-3

  • Route#2

    Cas:50500-59-9
    Cas:100047-66-3

  • Route#3

    Cas:37972-69-3
    Cas:4637-24-5
    Cas:100047-66-3