Name: Name:4-hydroxy-1-[4-(propan-2-yl)phenyl]-1H-pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG01AKPW
Rating: 90 (10 reviews)

4-hydroxy-1-[4-(propan-2-yl)phenyl]-1H-pyrazole-3-carboxylic acid

CAS No.:

1152624-72-0

Catalog Number:

AG01AKPW

Molecular Formula:

C13H14N2O3

Molecular Weight:

246.2619

Catalog Number:

AG01AKPW

Chemical Name:

4-hydroxy-1-[4-(propan-2-yl)phenyl]-1H-pyrazole-3-carboxylic acid

CAS Number:

1152624-72-0

Molecular Formula:

C13H14N2O3

Molecular Weight:

246.2619

MDL Number:

MFCD11523848

IUPAC Name:

4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylic acid

InChI:

InChI=1S/C13H14N2O3/c1-8(2)9-3-5-10(6-4-9)15-7-11(16)12(14-15)13(17)18/h3-8,16H,1-2H3,(H,17,18)

InChI Key:

DCYGDFVXIAZLKG-UHFFFAOYSA-N

SMILES:

CC(c1ccc(cc1)n1cc(c(n1)C(=O)O)O)C

Complexity:

301

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

246.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

246.266g/mol

Monoisotopic Mass:

246.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1