Name: Name:1-[4-hydroxy-1-(propan-2-yl)-1H-pyrazol-3-yl]ethan-1-one
Brand: Angene
SKU: AG01BHWT
Rating: 90 (10 reviews)

1-[4-hydroxy-1-(propan-2-yl)-1H-pyrazol-3-yl]ethan-1-one

CAS No.:

1355228-97-5

Catalog Number:

AG01BHWT

Molecular Formula:

C8H12N2O2

Molecular Weight:

168.1931

Catalog Number:

AG01BHWT

Chemical Name:

1-[4-hydroxy-1-(propan-2-yl)-1H-pyrazol-3-yl]ethan-1-one

CAS Number:

1355228-97-5

Molecular Formula:

C8H12N2O2

Molecular Weight:

168.1931

MDL Number:

MFCD24698200

IUPAC Name:

1-(4-hydroxy-1-propan-2-ylpyrazol-3-yl)ethanone

InChI:

InChI=1S/C8H12N2O2/c1-5(2)10-4-7(12)8(9-10)6(3)11/h4-5,12H,1-3H3

InChI Key:

XUIVYMGEZZRKGG-UHFFFAOYSA-N

SMILES:

CC(=O)c1nn(cc1O)C(C)C

Complexity:

182

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

168.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

168.196g/mol

Monoisotopic Mass:

168.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1