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102613-26-3 | 2,4(1H,3H)-Pyrimidinedione, 6-methyl-5-propyl-
CAS No: 102613-26-3 Catalog No: AG0007WZ MDL No:MFCD01677046
Product Description
Catalog Number:
AG0007WZ
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-methyl-5-propyl-
CAS Number:
102613-26-3
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD01677046
IUPAC Name:
6-methyl-5-propyl-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C8H12N2O2/c1-3-4-6-5(2)9-8(12)10-7(6)11/h3-4H2,1-2H3,(H2,9,10,11,12)
InChI Key:
SAQFHKPRFNXTBX-UHFFFAOYSA-N
SMILES:
CCCc1c(C)[nH]c(=O)[nH]c1=O
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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