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101184-09-2 | 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-5-methyl-2-oxo-
CAS No: 101184-09-2 Catalog No: AG0003WD MDL No:MFCD08458296
Product Description
Catalog Number:
AG0003WD
Chemical Name:
1H-Imidazole-4-carboxylic acid, 2,3-dihydro-5-methyl-2-oxo-
CAS Number:
101184-09-2
Molecular Formula:
C5H6N2O3
Molecular Weight:
142.1127
MDL Number:
MFCD08458296
IUPAC Name:
5-methyl-2-oxo-1,3-dihydroimidazole-4-carboxylic acid
InChI:
InChI=1S/C5H6N2O3/c1-2-3(4(8)9)7-5(10)6-2/h1H3,(H,8,9)(H2,6,7,10)
InChI Key:
MBAYTADLKKKKRY-UHFFFAOYSA-N
SMILES:
OC(=O)c1[nH]c(=O)[nH]c1C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.038g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
142.114g/mol
Monoisotopic Mass:
142.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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