Name: Name:1H-Pyrazole-4-carboxylic acid, 3-(1,1-dimethylethyl)-
Brand: Angene
SKU: AG000GIV
Rating: 90 (10 reviews)

1H-Pyrazole-4-carboxylic acid, 3-(1,1-dimethylethyl)-

CAS No.:

1152540-42-5

Catalog Number:

AG000GIV

Molecular Formula:

C8H12N2O2

Molecular Weight:

168.1931

Catalog Number:

AG000GIV

Chemical Name:

1H-Pyrazole-4-carboxylic acid, 3-(1,1-dimethylethyl)-

CAS Number:

1152540-42-5

Molecular Formula:

C8H12N2O2

Molecular Weight:

168.1931

MDL Number:

MFCD09258851

IUPAC Name:

5-tert-butyl-1H-pyrazole-4-carboxylic acid

InChI:

InChI=1S/C8H12N2O2/c1-8(2,3)6-5(7(11)12)4-9-10-6/h4H,1-3H3,(H,9,10)(H,11,12)

InChI Key:

CWYRBBYXHPMQBP-UHFFFAOYSA-N

SMILES:

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

Complexity:

186

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:

66A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4