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102628-32-0 | 2,4(1H,3H)-Pyrimidinedione, 5-butyl-6-methyl-3-(2-propen-1-yl)-
CAS No: 102628-32-0 Catalog No: AG0007ZE MDL No:
Product Description
Catalog Number:
AG0007ZE
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-butyl-6-methyl-3-(2-propen-1-yl)-
CAS Number:
102628-32-0
Molecular Formula:
C12H18N2O2
Molecular Weight:
222.2835
IUPAC Name:
5-butyl-6-methyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C12H18N2O2/c1-4-6-7-10-9(3)13-12(16)14(8-5-2)11(10)15/h5H,2,4,6-8H2,1,3H3,(H,13,16)
InChI Key:
GSKQWQMTLLITRI-UHFFFAOYSA-N
SMILES:
CCCCc1c(C)[nH]c(=O)n(c1=O)CC=C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.288g/mol
Monoisotopic Mass:
222.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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