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306960-69-0 | 5-Pyrimidinecarboxylic acid, 4-ethyl-1,2-dihydro-2-oxo-
CAS No: 306960-69-0 Catalog No: AG0030YT MDL No:
Product Description
Catalog Number:
AG0030YT
Chemical Name:
5-Pyrimidinecarboxylic acid, 4-ethyl-1,2-dihydro-2-oxo-
CAS Number:
306960-69-0
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
IUPAC Name:
6-ethyl-2-oxo-1H-pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C7H8N2O3/c1-2-5-4(6(10)11)3-8-7(12)9-5/h3H,2H2,1H3,(H,10,11)(H,8,9,12)
InChI Key:
UOZIUEUNDSWOSY-UHFFFAOYSA-N
SMILES:
CCc1nc(=O)[nH]cc1C(=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:
3
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:
-0.2
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