Name: Name:(3-methyl-4-nitro-1H-pyrazol-1-yl)acetic acid
Brand: Angene
SKU: AG00IJ93
Rating: 90 (10 reviews)

(3-methyl-4-nitro-1H-pyrazol-1-yl)acetic acid

CAS No.:

956204-54-9

Catalog Number:

AG00IJ93

Molecular Formula:

C6H7N3O4

Molecular Weight:

185.1375

Catalog Number:

AG00IJ93

Chemical Name:

(3-methyl-4-nitro-1H-pyrazol-1-yl)acetic acid

CAS Number:

956204-54-9

Molecular Formula:

C6H7N3O4

Molecular Weight:

185.1375

MDL Number:

MFCD04967123

IUPAC Name:

2-(3-methyl-4-nitropyrazol-1-yl)acetic acid

InChI:

InChI=1S/C6H7N3O4/c1-4-5(9(12)13)2-8(7-4)3-6(10)11/h2H,3H2,1H3,(H,10,11)

InChI Key:

XIXBNMMGKJHUJH-UHFFFAOYSA-N

SMILES:

OC(=O)Cn1nc(c(c1)[N+](=O)[O-])C

Complexity:

226

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

185.044g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

185.139g/mol

Monoisotopic Mass:

185.044g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

101A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2