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115859-76-2 |
CAS No: 115859-76-2 Catalog No: AG01FOYW MDL No:
Product Description
Catalog Number:
AG01FOYW
CAS Number:
115859-76-2
IUPAC Name:
2-(1,3-diazinan-2-ylidene)-1-(4-methylphenyl)ethanone
InChI:
InChI=1S/C13H16N2O/c1-10-3-5-11(6-4-10)12(16)9-13-14-7-2-8-15-13/h3-6,9,14-15H,2,7-8H2,1H3
InChI Key:
CLRJDSNOHLWHGU-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:
216.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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