Name: Name:5-(3,4-dimethylphenyl)-1H-pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG009OEV
Rating: 90 (10 reviews)

5-(3,4-dimethylphenyl)-1H-pyrazole-3-carboxylic acid

CAS No.:

1197631-29-0

Catalog Number:

AG009OEV

Molecular Formula:

C12H12N2O2

Molecular Weight:

216.2359

Catalog Number:

AG009OEV

Chemical Name:

5-(3,4-dimethylphenyl)-1H-pyrazole-3-carboxylic acid

CAS Number:

1197631-29-0

Molecular Formula:

C12H12N2O2

Molecular Weight:

216.2359

MDL Number:

MFCD05170048

IUPAC Name:

3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxylic acid

InChI:

InChI=1S/C12H12N2O2/c1-7-3-4-9(5-8(7)2)10-6-11(12(15)16)14-13-10/h3-6H,1-2H3,(H,13,14)(H,15,16)

InChI Key:

KLZBOPQBGJBTRD-UHFFFAOYSA-N

SMILES:

Cc1cc(ccc1C)c1n[nH]c(c1)C(=O)O

Complexity:

270

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

216.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

216.24g/mol

Monoisotopic Mass:

216.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5