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862168-16-9 | 5-Ethylcyclohexane-1,3-dione
CAS No: 862168-16-9 Catalog No: AG01FGEB MDL No:
Product Description
Catalog Number:
AG01FGEB
Chemical Name:
5-Ethylcyclohexane-1,3-dione
CAS Number:
862168-16-9
IUPAC Name:
4-chloro-6-(2,3-dimethoxyphenyl)pyrimidin-2-amine
InChI:
InChI=1S/C12H12ClN3O2/c1-17-9-5-3-4-7(11(9)18-2)8-6-10(13)16-12(14)15-8/h3-6H,1-2H3,(H2,14,15,16)
InChI Key:
WBYAZQPVOJMTOH-UHFFFAOYSA-N
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.697g/mol
Monoisotopic Mass:
265.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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