Name: Name:2-cyano-3-(1-methyl-1H-pyrazol-4-yl)prop-2-enoic acid
Brand: Angene
SKU: AG01E9NE
Rating: 90 (10 reviews)

2-cyano-3-(1-methyl-1H-pyrazol-4-yl)prop-2-enoic acid

CAS No.:

1158142-40-5

Catalog Number:

AG01E9NE

Molecular Formula:

C8H7N3O2

Molecular Weight:

177.1601

Catalog Number:

AG01E9NE

Chemical Name:

2-cyano-3-(1-methyl-1H-pyrazol-4-yl)prop-2-enoic acid

CAS Number:

1158142-40-5

Molecular Formula:

C8H7N3O2

Molecular Weight:

177.1601

MDL Number:

MFCD29041029

IUPAC Name:

(E)-2-cyano-3-(1-methylpyrazol-4-yl)prop-2-enoic acid

InChI:

InChI=1S/C8H7N3O2/c1-11-5-6(4-10-11)2-7(3-9)8(12)13/h2,4-5H,1H3,(H,12,13)/b7-2+

InChI Key:

MMHBDTXUDSOMKD-FARCUNLSSA-N

SMILES:

N#CC(=Cc1cnn(c1)C)C(=O)O

Complexity:

289

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

177.054g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

177.163g/mol

Monoisotopic Mass:

177.054g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.1