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1010-93-1 | 1H-Imidazole-1-acetic acid, 2-methyl-5-nitro-
CAS No: 1010-93-1 Catalog No: AG0003HH MDL No:MFCD01721819
Product Description
Catalog Number:
AG0003HH
Chemical Name:
1H-Imidazole-1-acetic acid, 2-methyl-5-nitro-
CAS Number:
1010-93-1
Molecular Formula:
C6H7N3O4
Molecular Weight:
185.1375
MDL Number:
MFCD01721819
IUPAC Name:
2-(2-methyl-5-nitroimidazol-1-yl)acetic acid
InChI:
InChI=1S/C6H7N3O4/c1-4-7-2-5(9(12)13)8(4)3-6(10)11/h2H,3H2,1H3,(H,10,11)
InChI Key:
RVEGZXNRNWUYKI-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1c(C)ncc1[N+](=O)[O-]
UNII:
69IKL472BQ
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:
-0.2
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