Name: Name:1H-Pyrazole-4-carboxylic acid, 5-ethyl-1-phenyl-
Brand: Angene
SKU: AG000C9W
Rating: 90 (10 reviews)

1H-Pyrazole-4-carboxylic acid, 5-ethyl-1-phenyl-

CAS No.:

116344-16-2

Catalog Number:

AG000C9W

Molecular Formula:

C12H12N2O2

Molecular Weight:

216.2359

Catalog Number:

AG000C9W

Chemical Name:

1H-Pyrazole-4-carboxylic acid, 5-ethyl-1-phenyl-

CAS Number:

116344-16-2

Molecular Formula:

C12H12N2O2

Molecular Weight:

216.2359

MDL Number:

MFCD09971441

IUPAC Name:

5-ethyl-1-phenylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C12H12N2O2/c1-2-11-10(12(15)16)8-13-14(11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,15,16)

InChI Key:

VFLMYSWXEOLIOB-UHFFFAOYSA-N

SMILES:

CCc1c(cnn1c1ccccc1)C(=O)O

Complexity:

251

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:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3