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113981-20-7 | 2,4(1H,3H)-Pyrimidinedione, 1-acetyl-3-(2-methylbenzoyl)-
CAS No: 113981-20-7 Catalog No: AG000A8T MDL No:
Product Description
Catalog Number:
AG000A8T
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-acetyl-3-(2-methylbenzoyl)-
CAS Number:
113981-20-7
Molecular Formula:
C14H12N2O4
Molecular Weight:
272.2561
IUPAC Name:
1-acetyl-3-(2-methylbenzoyl)pyrimidine-2,4-dione
InChI:
InChI=1S/C14H12N2O4/c1-9-5-3-4-6-11(9)13(19)16-12(18)7-8-15(10(2)17)14(16)20/h3-8H,1-2H3
InChI Key:
CWCHAYUOOIIMFP-UHFFFAOYSA-N
SMILES:
Cc1ccccc1C(=O)n1c(=O)ccn(c1=O)C(=O)C
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.26g/mol
Monoisotopic Mass:
272.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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