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23571-51-9 | 1H-Imidazole-1-acetic acid, 5-methyl-2-nitro-
CAS No: 23571-51-9 Catalog No: AG002NPO MDL No:
Product Description
Catalog Number:
AG002NPO
Chemical Name:
1H-Imidazole-1-acetic acid, 5-methyl-2-nitro-
CAS Number:
23571-51-9
Molecular Formula:
C6H7N3O4
Molecular Weight:
185.1375
IUPAC Name:
2-(5-methyl-2-nitroimidazol-1-yl)acetic acid
InChI:
InChI=1S/C6H7N3O4/c1-4-2-7-6(9(12)13)8(4)3-5(10)11/h2H,3H2,1H3,(H,10,11)
InChI Key:
XTWAAJAXJLPIMX-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1c(C)cnc1[N+](=O)[O-]
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.139g/mol
Monoisotopic Mass:
185.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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