Name: Name:2-{4-[(hydroxyimino)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}acetic acid
Brand: Angene
SKU: AG019VKP
Rating: 90 (10 reviews)

2-{4-[(hydroxyimino)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}acetic acid

CAS No.:

1181471-99-7

Catalog Number:

AG019VKP

Molecular Formula:

C8H11N3O3

Molecular Weight:

197.1912

Catalog Number:

AG019VKP

Chemical Name:

2-{4-[(hydroxyimino)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}acetic acid

CAS Number:

1181471-99-7

Molecular Formula:

C8H11N3O3

Molecular Weight:

197.1912

MDL Number:

MFCD12197221

IUPAC Name:

2-[4-(hydroxyiminomethyl)-3,5-dimethylpyrazol-1-yl]acetic acid

InChI:

InChI=1S/C8H11N3O3/c1-5-7(3-9-14)6(2)11(10-5)4-8(12)13/h3,14H,4H2,1-2H3,(H,12,13)

InChI Key:

KQSJTUXIXSKNNS-UHFFFAOYSA-N

SMILES:

ON=Cc1c(C)nn(c1C)CC(=O)O

Complexity:

244

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

197.08g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

197.194g/mol

Monoisotopic Mass:

197.08g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

87.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4