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117291-75-5 | 4(3H)-Pyrimidinone, 2-(1,1-dimethylethyl)-6-methoxy-
CAS No: 117291-75-5 Catalog No: AG000E2G MDL No:
Product Description
Catalog Number:
AG000E2G
Chemical Name:
4(3H)-Pyrimidinone, 2-(1,1-dimethylethyl)-6-methoxy-
CAS Number:
117291-75-5
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
IUPAC Name:
2-tert-butyl-4-methoxy-1H-pyrimidin-6-one
InChI:
InChI=1S/C9H14N2O2/c1-9(2,3)8-10-6(12)5-7(11-8)13-4/h5H,1-4H3,(H,10,11,12)
InChI Key:
WTRJNJSYUUFXIL-UHFFFAOYSA-N
SMILES:
COc1cc(=O)[nH]c(n1)C(C)(C)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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