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132806-16-7 | 2(1H)-Pyrimidinone, 5-methyl-6-(1-methylethoxy)-
CAS No: 132806-16-7 Catalog No: AG00117W MDL No:
Product Description
Catalog Number:
AG00117W
Chemical Name:
2(1H)-Pyrimidinone, 5-methyl-6-(1-methylethoxy)-
CAS Number:
132806-16-7
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
IUPAC Name:
5-methyl-6-propan-2-yloxy-1H-pyrimidin-2-one
InChI:
InChI=1S/C8H12N2O2/c1-5(2)12-7-6(3)4-9-8(11)10-7/h4-5H,1-3H3,(H,9,10,11)
InChI Key:
YBYVXYISNOTBAJ-UHFFFAOYSA-N
SMILES:
CC(Oc1[nH]c(=O)ncc1C)C
Properties
Complexity:
254
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:
1
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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