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122980-64-7 | 4(3H)-Pyrimidinone, 2,6-bis(1,1-dimethylethyl)-3-methyl-
CAS No: 122980-64-7 Catalog No: AG000JV4 MDL No:
Product Description
Catalog Number:
AG000JV4
Chemical Name:
4(3H)-Pyrimidinone, 2,6-bis(1,1-dimethylethyl)-3-methyl-
CAS Number:
122980-64-7
Molecular Formula:
C13H22N2O
Molecular Weight:
222.3266
IUPAC Name:
2,6-ditert-butyl-3-methylpyrimidin-4-one
InChI:
InChI=1S/C13H22N2O/c1-12(2,3)9-8-10(16)15(7)11(14-9)13(4,5)6/h8H,1-7H3
InChI Key:
IIPOAZMXHFRZGN-UHFFFAOYSA-N
SMILES:
O=c1cc(nc(n1C)C(C)(C)C)C(C)(C)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.173g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.332g/mol
Monoisotopic Mass:
222.173g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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