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Home > Nitro Compounds > 1046468-89-6
1046468-89-6 | N-(3-methyl-4-nitro-1H-pyrazol-5-yl)glycine
CAS No: 1046468-89-6 Catalog No: AG00JEJP MDL No:MFCD00457096
Product Description
Catalog Number:
AG00JEJP
Chemical Name:
N-(3-methyl-4-nitro-1H-pyrazol-5-yl)glycine
CAS Number:
1046468-89-6
Molecular Formula:
C6H8N4O4
Molecular Weight:
200.1521
MDL Number:
MFCD00457096
IUPAC Name:
2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)amino]acetic acid
InChI:
InChI=1S/C6H8N4O4/c1-3-5(10(13)14)6(9-8-3)7-2-4(11)12/h2H2,1H3,(H,11,12)(H2,7,8,9)
InChI Key:
SFXBUUPMNUPZDG-UHFFFAOYSA-N
SMILES:
OC(=O)CNc1[nH]nc(c1[N+](=O)[O-])C
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.055g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
200.154g/mol
Monoisotopic Mass:
200.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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