Name: Name:ethyl 2-hydroxy-4-(1-methyl-1H-pyrazol-5-yl)-4-oxobut-2-enoate
Brand: Angene
SKU: AG01EJVH
Rating: 90 (10 reviews)

ethyl 2-hydroxy-4-(1-methyl-1H-pyrazol-5-yl)-4-oxobut-2-enoate

CAS No.:

1562232-38-5

Catalog Number:

AG01EJVH

Molecular Formula:

C10H12N2O4

Molecular Weight:

224.2133

Catalog Number:

AG01EJVH

Chemical Name:

ethyl 2-hydroxy-4-(1-methyl-1H-pyrazol-5-yl)-4-oxobut-2-enoate

CAS Number:

1562232-38-5

Molecular Formula:

C10H12N2O4

Molecular Weight:

224.2133

MDL Number:

MFCD26684210

IUPAC Name:

ethyl (Z)-4-hydroxy-4-(2-methylpyrazol-3-yl)-2-oxobut-3-enoate

InChI:

InChI=1S/C10H12N2O4/c1-3-16-10(15)9(14)6-8(13)7-4-5-11-12(7)2/h4-6,13H,3H2,1-2H3/b8-6-

InChI Key:

LGQNQIXXEJTLGI-VURMDHGXSA-N

SMILES:

CCOC(=O)C(=CC(=O)c1ccnn1C)O

Complexity:

314

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

224.08g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

224.216g/mol

Monoisotopic Mass:

224.08g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8