Name: Name:1-(1-methyl-1H-pyrazol-4-yl)butane-1,3-dione
Brand: Angene
SKU: AG019T55
Rating: 90 (10 reviews)

1-(1-methyl-1H-pyrazol-4-yl)butane-1,3-dione

CAS No.:

1247584-05-9

Catalog Number:

AG019T55

Molecular Formula:

C8H10N2O2

Molecular Weight:

166.1772

Catalog Number:

AG019T55

Chemical Name:

1-(1-methyl-1H-pyrazol-4-yl)butane-1,3-dione

CAS Number:

1247584-05-9

Molecular Formula:

C8H10N2O2

Molecular Weight:

166.1772

MDL Number:

MFCD16109075

IUPAC Name:

1-(1-methylpyrazol-4-yl)butane-1,3-dione

InChI:

InChI=1S/C8H10N2O2/c1-6(11)3-8(12)7-4-9-10(2)5-7/h4-5H,3H2,1-2H3

InChI Key:

WLMQLKWTLRJQNB-UHFFFAOYSA-N

SMILES:

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

Complexity:

203

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

166.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

166.18g/mol

Monoisotopic Mass:

166.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.2