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Home > Pyridines > 208190-01-6
208190-01-6 | Cyclohexanone, 2-(4-pyridinylmethylene)-, (2E)-
CAS No: 208190-01-6 Catalog No: AG002JK9 MDL No:
Product Description
Catalog Number:
AG002JK9
Chemical Name:
Cyclohexanone, 2-(4-pyridinylmethylene)-, (2E)-
CAS Number:
208190-01-6
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
IUPAC Name:
2-(pyridin-4-ylmethylidene)cyclohexan-1-one
InChI:
InChI=1S/C12H13NO/c14-12-4-2-1-3-11(12)9-10-5-7-13-8-6-10/h5-9H,1-4H2
InChI Key:
LQMXCJNLKOOKFN-UHFFFAOYSA-N
SMILES:
O=C1CCCC/C/1=C\c1ccncc1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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