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15533-68-3

15533-68-3 | 2,4(1H,3H)-Pyrimidinedione, dihydro-1-phenyl-

CAS No: 15533-68-3 Catalog No: AG001NU2 MDL No:MFCD12159738

Product Description

Catalog Number:
AG001NU2
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, dihydro-1-phenyl-
CAS Number:
15533-68-3
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
MDL Number:
MFCD12159738
IUPAC Name:
1-phenyl-1,3-diazinane-2,4-dione
InChI:
InChI=1S/C10H10N2O2/c13-9-6-7-12(10(14)11-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,13,14)
InChI Key:
IYBINJWRHRKLTJ-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)CCN1c1ccccc1

Properties

Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

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