Name: Name:4-(1-methyl-1H-pyrazol-4-yl)-4-oxobut-2-enoic acid
Brand: Angene
SKU: AG01BGWH
Rating: 90 (10 reviews)

4-(1-methyl-1H-pyrazol-4-yl)-4-oxobut-2-enoic acid

CAS No.:

1807920-17-7

Catalog Number:

AG01BGWH

Molecular Formula:

C8H8N2O3

Molecular Weight:

180.1607

Catalog Number:

AG01BGWH

Chemical Name:

4-(1-methyl-1H-pyrazol-4-yl)-4-oxobut-2-enoic acid

CAS Number:

1807920-17-7

Molecular Formula:

C8H8N2O3

Molecular Weight:

180.1607

MDL Number:

MFCD28139419

IUPAC Name:

(E)-4-(1-methylpyrazol-4-yl)-4-oxobut-2-enoic acid

InChI:

InChI=1S/C8H8N2O3/c1-10-5-6(4-9-10)7(11)2-3-8(12)13/h2-5H,1H3,(H,12,13)/b3-2+

InChI Key:

ZNNIORXFCDXSQN-NSCUHMNNSA-N

SMILES:

OC(=O)C=CC(=O)c1cnn(c1)C

Complexity:

250

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

180.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

180.163g/mol

Monoisotopic Mass:

180.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.3