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1563-98-0 | 1H-Imidazole-2-carboxylic acid, 1-methyl-5-nitro-, methyl ester
CAS No: 1563-98-0 Catalog No: AG001ONV MDL No:MFCD23135841
Product Description
Catalog Number:
AG001ONV
Chemical Name:
1H-Imidazole-2-carboxylic acid, 1-methyl-5-nitro-, methyl ester
CAS Number:
1563-98-0
Molecular Formula:
C6H7N3O4
Molecular Weight:
185.1375
MDL Number:
MFCD23135841
IUPAC Name:
methyl 1-methyl-5-nitroimidazole-2-carboxylate
InChI:
InChI=1S/C6H7N3O4/c1-8-4(9(11)12)3-7-5(8)6(10)13-2/h3H,1-2H3
InChI Key:
LLEABRXWBICJNJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc(n1C)C(=O)OC
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:
0
Isotope Atom Count:
0
Molecular Weight:
185.139g/mol
Monoisotopic Mass:
185.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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