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75524-08-2 | 4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-2-hydroxy-5-phenyl-
CAS No: 75524-08-2 Catalog No: AG005K5V MDL No:
Product Description
Catalog Number:
AG005K5V
Chemical Name:
4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-2-hydroxy-5-phenyl-
CAS Number:
75524-08-2
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
IUPAC Name:
5-ethyl-2-hydroxy-5-phenyl-1,3-diazinane-4,6-dione
InChI:
InChI=1S/C12H14N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7,11,17H,2H2,1H3,(H,13,15)(H,14,16)
InChI Key:
PVKBVMQSXIHKOT-UHFFFAOYSA-N
SMILES:
CCC1(C(=O)NC(NC1=O)O)c1ccccc1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
234.255g/mol
Monoisotopic Mass:
234.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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