Name: Name:1-phenyl-3-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG019W3T
Rating: 90 (10 reviews)

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

CAS No.:

1003577-72-7

Catalog Number:

AG019W3T

Molecular Formula:

C13H14N2O2

Molecular Weight:

230.2625

Catalog Number:

AG019W3T

Chemical Name:

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

CAS Number:

1003577-72-7

Molecular Formula:

C13H14N2O2

Molecular Weight:

230.2625

MDL Number:

MFCD11180204

IUPAC Name:

1-phenyl-3-propan-2-ylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C13H14N2O2/c1-9(2)12-11(13(16)17)8-15(14-12)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,17)

InChI Key:

AVKAZVYDPUIIAC-UHFFFAOYSA-N

SMILES:

CC(c1nn(cc1C(=O)O)c1ccccc1)C

Complexity:

275

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

230.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

230.267g/mol

Monoisotopic Mass:

230.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6