Name: Name:2-[3-methyl-1-(3-methylbutyl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]acetic acid
Brand: Angene
SKU: AG019QWY
Rating: 90 (10 reviews)

2-[3-methyl-1-(3-methylbutyl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]acetic acid

CAS No.:

1250197-54-6

Catalog Number:

AG019QWY

Molecular Formula:

C11H18N2O3

Molecular Weight:

226.2722

Catalog Number:

AG019QWY

Chemical Name:

2-[3-methyl-1-(3-methylbutyl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]acetic acid

CAS Number:

1250197-54-6

Molecular Formula:

C11H18N2O3

Molecular Weight:

226.2722

MDL Number:

MFCD14661888

IUPAC Name:

2-[3-methyl-1-(3-methylbutyl)-5-oxo-4H-pyrazol-4-yl]acetic acid

InChI:

InChI=1S/C11H18N2O3/c1-7(2)4-5-13-11(16)9(6-10(14)15)8(3)12-13/h7,9H,4-6H2,1-3H3,(H,14,15)

InChI Key:

OLDHSYDEJBUYPX-UHFFFAOYSA-N

SMILES:

CC(CCN1N=C(C(C1=O)CC(=O)O)C)C

Complexity:

323

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.132g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.276g/mol

Monoisotopic Mass:

226.132g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9