Name: Name:1-(2-cyanoethyl)-5-methyl-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG019XMH
Rating: 90 (10 reviews)

1-(2-cyanoethyl)-5-methyl-1H-pyrazole-4-carboxylic acid

CAS No.:

1020703-75-6

Catalog Number:

AG019XMH

Molecular Formula:

C8H9N3O2

Molecular Weight:

179.1760

Catalog Number:

AG019XMH

Chemical Name:

1-(2-cyanoethyl)-5-methyl-1H-pyrazole-4-carboxylic acid

CAS Number:

1020703-75-6

Molecular Formula:

C8H9N3O2

Molecular Weight:

179.1760

MDL Number:

MFCD09051313

IUPAC Name:

1-(2-cyanoethyl)-5-methylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C8H9N3O2/c1-6-7(8(12)13)5-10-11(6)4-2-3-9/h5H,2,4H2,1H3,(H,12,13)

InChI Key:

LULTVFMVOYHFFR-UHFFFAOYSA-N

SMILES:

Cc1c(cnn1CCC#N)C(=O)O

Complexity:

245

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

179.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

179.179g/mol

Monoisotopic Mass:

179.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.2