Name: Name:3-[(tert-butoxy)carbonyl]-1-methyl-1H-pyrazole-5-carboxylic acid
Brand: Angene
SKU: AG01B6UN
Rating: 90 (10 reviews)

3-[(tert-butoxy)carbonyl]-1-methyl-1H-pyrazole-5-carboxylic acid

CAS No.:

2059988-63-3

Catalog Number:

AG01B6UN

Molecular Formula:

C10H14N2O4

Molecular Weight:

226.2292

Catalog Number:

AG01B6UN

Chemical Name:

3-[(tert-butoxy)carbonyl]-1-methyl-1H-pyrazole-5-carboxylic acid

CAS Number:

2059988-63-3

Molecular Formula:

C10H14N2O4

Molecular Weight:

226.2292

MDL Number:

MFCD28405738

IUPAC Name:

2-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carboxylic acid

InChI:

InChI=1S/C10H14N2O4/c1-10(2,3)16-9(15)6-5-7(8(13)14)12(4)11-6/h5H,1-4H3,(H,13,14)

InChI Key:

PJSBWXFIGQPWFU-UHFFFAOYSA-N

SMILES:

O=C(c1cc(n(n1)C)C(=O)O)OC(C)(C)C

Complexity:

298

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.232g/mol

Monoisotopic Mass:

226.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3