Name: Name:1-methyl-5-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG019XNC
Rating: 90 (10 reviews)

1-methyl-5-(propan-2-yl)-1H-pyrazole-4-carboxylic acid

CAS No.:

1152579-63-9

Catalog Number:

AG019XNC

Molecular Formula:

C8H12N2O2

Molecular Weight:

168.1931

Catalog Number:

AG019XNC

Chemical Name:

1-methyl-5-(propan-2-yl)-1H-pyrazole-4-carboxylic acid

CAS Number:

1152579-63-9

Molecular Formula:

C8H12N2O2

Molecular Weight:

168.1931

MDL Number:

MFCD11118258

IUPAC Name:

1-methyl-5-propan-2-ylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C8H12N2O2/c1-5(2)7-6(8(11)12)4-9-10(7)3/h4-5H,1-3H3,(H,11,12)

InChI Key:

KTMMGHZULUOVAV-UHFFFAOYSA-N

SMILES:

CC(c1n(C)ncc1C(=O)O)C

Complexity:

182

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

168.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

168.196g/mol

Monoisotopic Mass:

168.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9