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13251-16-6 | 2,4(1H,3H)-Pyrimidinedione, 1-acetyl-5-methyl-
CAS No: 13251-16-6 Catalog No: AG0010SC MDL No:
Product Description
Catalog Number:
AG0010SC
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-acetyl-5-methyl-
CAS Number:
13251-16-6
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
IUPAC Name:
1-acetyl-5-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C7H8N2O3/c1-4-3-9(5(2)10)7(12)8-6(4)11/h3H,1-2H3,(H,8,11,12)
InChI Key:
YBXJEAPQVULNKE-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)n(cc1C)C(=O)C
Properties
Complexity:
293
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:
1
Isotope Atom Count:
0
Molecular Weight:
168.152g/mol
Monoisotopic Mass:
168.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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