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821795-75-9 | 2,4(1H,3H)-Pyrimidinedione, 3-[(3-methoxyphenyl)methyl]-5-methyl-
CAS No: 821795-75-9 Catalog No: AG005I5W MDL No:
Product Description
Catalog Number:
AG005I5W
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 3-[(3-methoxyphenyl)methyl]-5-methyl-
CAS Number:
821795-75-9
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
IUPAC Name:
3-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C13H14N2O3/c1-9-7-14-13(17)15(12(9)16)8-10-4-3-5-11(6-10)18-2/h3-7H,8H2,1-2H3,(H,14,17)
InChI Key:
MDYJTMCMFDOGIR-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)Cn1c(=O)[nH]cc(c1=O)C
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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