Name: Name:2-(1-tert-butyl-1H-pyrazol-4-yl)-2-oxoacetic acid
Brand: Angene
SKU: AG019UQ5
Rating: 90 (10 reviews)

2-(1-tert-butyl-1H-pyrazol-4-yl)-2-oxoacetic acid

CAS No.:

1171422-69-7

Catalog Number:

AG019UQ5

Molecular Formula:

C9H12N2O3

Molecular Weight:

196.2032

Catalog Number:

AG019UQ5

Chemical Name:

2-(1-tert-butyl-1H-pyrazol-4-yl)-2-oxoacetic acid

CAS Number:

1171422-69-7

Molecular Formula:

C9H12N2O3

Molecular Weight:

196.2032

MDL Number:

MFCD11857904

IUPAC Name:

2-(1-tert-butylpyrazol-4-yl)-2-oxoacetic acid

InChI:

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

InChI Key:

POJJDOVBFHAMAZ-UHFFFAOYSA-N

SMILES:

OC(=O)C(=O)c1cnn(c1)C(C)(C)C

Complexity:

257

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:

72.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5