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Home > Pyridines > 835604-56-3
835604-56-3 | Cyclopentanone, 2,5-bis(4-pyridinylmethylene)-, (2E,5E)-
CAS No: 835604-56-3 Catalog No: AG004UOZ MDL No:
Product Description
Catalog Number:
AG004UOZ
Chemical Name:
Cyclopentanone, 2,5-bis(4-pyridinylmethylene)-, (2E,5E)-
CAS Number:
835604-56-3
Molecular Formula:
C17H14N2O
Molecular Weight:
262.3059
IUPAC Name:
2,5-bis(pyridin-4-ylmethylidene)cyclopentan-1-one
InChI:
InChI=1S/C17H14N2O/c20-17-15(11-13-3-7-18-8-4-13)1-2-16(17)12-14-5-9-19-10-6-14/h3-12H,1-2H2
InChI Key:
VJTIKIQJUZWNSW-UHFFFAOYSA-N
SMILES:
O=C1/C(=C/c2ccncc2)/CC/C/1=C\c1ccncc1
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.312g/mol
Monoisotopic Mass:
262.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.4
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