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13318-62-2 | 2,4(1H,3H)-Pyrimidinedione, 6-[(4-aminophenyl)methyl]-
CAS No: 13318-62-2 Catalog No: AG0014DM MDL No:
Product Description
Catalog Number:
AG0014DM
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-[(4-aminophenyl)methyl]-
CAS Number:
13318-62-2
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
IUPAC Name:
6-[(4-aminophenyl)methyl]-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C11H11N3O2/c12-8-3-1-7(2-4-8)5-9-6-10(15)14-11(16)13-9/h1-4,6H,5,12H2,(H2,13,14,15,16)
InChI Key:
PYFYLGGWMQPDKB-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Cc1cc(=O)[nH]c(=O)[nH]1
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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