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4875-90-5 | 2-(3-Pyridylmethylene)-1-indanone
CAS No: 4875-90-5 Catalog No: AG00E02C MDL No:
Product Description
Catalog Number:
AG00E02C
Chemical Name:
2-(3-Pyridylmethylene)-1-indanone
CAS Number:
4875-90-5
IUPAC Name:
(2E)-2-(pyridin-3-ylmethylidene)-3H-inden-1-one
InChI:
InChI=1S/C15H11NO/c17-15-13(8-11-4-3-7-16-10-11)9-12-5-1-2-6-14(12)15/h1-8,10H,9H2/b13-8+
InChI Key:
UCAONOPVOXJPQZ-MDWZMJQESA-N
NSC Number:
247999
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
221.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.259g/mol
Monoisotopic Mass:
221.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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