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1267654-20-5 | 4-Pyrimidinecarboxylic acid, 2-ethyl-1,6-dihydro-6-oxo-
CAS No: 1267654-20-5 Catalog No: AG000T7G MDL No:MFCD15731671
Product Description
Catalog Number:
AG000T7G
Chemical Name:
4-Pyrimidinecarboxylic acid, 2-ethyl-1,6-dihydro-6-oxo-
CAS Number:
1267654-20-5
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
MDL Number:
MFCD15731671
IUPAC Name:
2-ethyl-6-oxo-1H-pyrimidine-4-carboxylic acid
InChI:
InChI=1S/C7H8N2O3/c1-2-5-8-4(7(11)12)3-6(10)9-5/h3H,2H2,1H3,(H,11,12)(H,8,9,10)
InChI Key:
BXQWLKTVPZPPAX-UHFFFAOYSA-N
SMILES:
CCc1nc(cc(=O)[nH]1)C(=O)O
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.152g/mol
Monoisotopic Mass:
168.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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