Name: Name:1-tert-butyl-3-methyl-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01A6S8
Rating: 90 (10 reviews)

1-tert-butyl-3-methyl-1H-pyrazole-4-carboxylic acid

CAS No.:

113100-47-3

Catalog Number:

AG01A6S8

Molecular Formula:

C9H14N2O2

Molecular Weight:

182.2197

Catalog Number:

AG01A6S8

Chemical Name:

1-tert-butyl-3-methyl-1H-pyrazole-4-carboxylic acid

CAS Number:

113100-47-3

Molecular Formula:

C9H14N2O2

Molecular Weight:

182.2197

MDL Number:

MFCD11043002

IUPAC Name:

1-tert-butyl-3-methylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C9H14N2O2/c1-6-7(8(12)13)5-11(10-6)9(2,3)4/h5H,1-4H3,(H,12,13)

InChI Key:

YKVWUVSWHUEXMJ-UHFFFAOYSA-N

SMILES:

OC(=O)c1cn(nc1C)C(C)(C)C

Complexity:

210

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

182.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

182.223g/mol

Monoisotopic Mass:

182.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1