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101184-10-5 | 1H-Imidazole-4-carboxylic acid, 5-ethyl-2,3-dihydro-2-oxo-
CAS No: 101184-10-5 Catalog No: AG0003WC MDL No:
Product Description
Catalog Number:
AG0003WC
Chemical Name:
1H-Imidazole-4-carboxylic acid, 5-ethyl-2,3-dihydro-2-oxo-
CAS Number:
101184-10-5
Molecular Formula:
C6H8N2O3
Molecular Weight:
156.1393
IUPAC Name:
5-ethyl-2-oxo-1,3-dihydroimidazole-4-carboxylic acid
InChI:
InChI=1S/C6H8N2O3/c1-2-3-4(5(9)10)8-6(11)7-3/h2H2,1H3,(H,9,10)(H2,7,8,11)
InChI Key:
BIIBLAGNYXUUEI-UHFFFAOYSA-N
SMILES:
CCc1[nH]c(=O)[nH]c1C(=O)O
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
156.141g/mol
Monoisotopic Mass:
156.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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