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177760-04-2 | 1H-Imidazole-5-carboxylic acid, 2-amino-1-methyl-, ethyl ester
CAS No: 177760-04-2 Catalog No: AG0025JU MDL No:MFCD09997799
Product Description
Catalog Number:
AG0025JU
Chemical Name:
1H-Imidazole-5-carboxylic acid, 2-amino-1-methyl-, ethyl ester
CAS Number:
177760-04-2
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
MDL Number:
MFCD09997799
IUPAC Name:
ethyl 2-amino-3-methylimidazole-4-carboxylate
InChI:
InChI=1S/C7H11N3O2/c1-3-12-6(11)5-4-9-7(8)10(5)2/h4H,3H2,1-2H3,(H2,8,9)
InChI Key:
CXSLXRSUUJLZBT-UHFFFAOYSA-N
SMILES:
Cn1c(cnc1N)C(=O)OCC
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.085g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.184g/mol
Monoisotopic Mass:
169.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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