Name: Name:1H-Pyrazole-3,4-dicarboxylic acid, 5-methyl-, 4-methyl ester
Brand: Angene
SKU: AG01DTD4
Rating: 90 (10 reviews)

1H-Pyrazole-3,4-dicarboxylic acid, 5-methyl-, 4-methyl ester

CAS No.:

198135-11-4

Catalog Number:

AG01DTD4

Molecular Formula:

C7H8N2O4

Molecular Weight:

184.1494

Catalog Number:

AG01DTD4

Chemical Name:

1H-Pyrazole-3,4-dicarboxylic acid, 5-methyl-, 4-methyl ester

CAS Number:

198135-11-4

Molecular Formula:

C7H8N2O4

Molecular Weight:

184.1494

MDL Number:

MFCD20655986

IUPAC Name:

4-methoxycarbonyl-5-methyl-1H-pyrazole-3-carboxylic acid

InChI:

InChI=1S/C7H8N2O4/c1-3-4(7(12)13-2)5(6(10)11)9-8-3/h1-2H3,(H,8,9)(H,10,11)

InChI Key:

NGRRYHBWFLFQBW-UHFFFAOYSA-N

SMILES:

COC(=O)c1c(C)[nH]nc1C(=O)O

Complexity:

231

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

184.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

184.151g/mol

Monoisotopic Mass:

184.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3