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116240-07-4 | 2,4(1H,3H)-Pyrimidinedione, dihydro-3-(1-methylethyl)-1-phenyl-
CAS No: 116240-07-4 Catalog No: AG000C0I MDL No:MFCD12732901
Product Description
Catalog Number:
AG000C0I
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, dihydro-3-(1-methylethyl)-1-phenyl-
CAS Number:
116240-07-4
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
MDL Number:
MFCD12732901
IUPAC Name:
1-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione
InChI:
InChI=1S/C13H16N2O2/c1-10(2)15-12(16)8-9-14(13(15)17)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChI Key:
RTHQOFQGTFBEDU-UHFFFAOYSA-N
SMILES:
CC(N1C(=O)CCN(C1=O)c1ccccc1)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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