Name: Name:1-methyl-3-(oxolan-3-yl)-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01AGDG
Rating: 90 (10 reviews)

1-methyl-3-(oxolan-3-yl)-1H-pyrazole-4-carboxylic acid

CAS No.:

1596889-33-6

Catalog Number:

AG01AGDG

Molecular Formula:

C9H12N2O3

Molecular Weight:

196.2032

Catalog Number:

AG01AGDG

Chemical Name:

1-methyl-3-(oxolan-3-yl)-1H-pyrazole-4-carboxylic acid

CAS Number:

1596889-33-6

Molecular Formula:

C9H12N2O3

Molecular Weight:

196.2032

MDL Number:

MFCD28118214

IUPAC Name:

1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxylic acid

InChI:

InChI=1S/C9H12N2O3/c1-11-4-7(9(12)13)8(10-11)6-2-3-14-5-6/h4,6H,2-3,5H2,1H3,(H,12,13)

InChI Key:

VQYPIWNLJDWUTN-UHFFFAOYSA-N

SMILES:

Cn1cc(c(n1)C1COCC1)C(=O)O

Complexity:

234

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

196.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

196.206g/mol

Monoisotopic Mass:

196.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.2