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82831-19-4 | ethyl 5-methyl-2-oxo-1,3-dihydroimidazole-4-carboxylate
CAS No: 82831-19-4 Catalog No: AG0055OO MDL No:MFCD00085079
Product Description
Catalog Number:
AG0055OO
Chemical Name:
ethyl 5-methyl-2-oxo-1,3-dihydroimidazole-4-carboxylate
CAS Number:
82831-19-4
Molecular Formula:
C7H10N2O3
Molecular Weight:
170.1659
MDL Number:
MFCD00085079
IUPAC Name:
ethyl 5-methyl-2-oxo-1,3-dihydroimidazole-4-carboxylate
InChI:
InChI=1S/C7H10N2O3/c1-3-12-6(10)5-4(2)8-7(11)9-5/h3H2,1-2H3,(H2,8,9,11)
InChI Key:
CNIUYOLZVQXGAI-UHFFFAOYSA-N
SMILES:
Cc1c(C(=O)OCC)[nH]c(=O)[nH]1
NSC Number:
7839
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.168g/mol
Monoisotopic Mass:
170.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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