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30162-35-7 | 1-(pyridin-2-yl)-2-(pyridin-4-yl)ethan-1-one
CAS No: 30162-35-7 Catalog No: AG01C17G MDL No:MFCD21265115
Product Description
Catalog Number:
AG01C17G
Chemical Name:
1-(pyridin-2-yl)-2-(pyridin-4-yl)ethan-1-one
CAS Number:
30162-35-7
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
MDL Number:
MFCD21265115
IUPAC Name:
1-pyridin-2-yl-2-pyridin-4-ylethanone
InChI:
InChI=1S/C12H10N2O/c15-12(11-3-1-2-6-14-11)9-10-4-7-13-8-5-10/h1-8H,9H2
InChI Key:
WFLXZZLROLIHDZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccn1)Cc1ccncc1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.225g/mol
Monoisotopic Mass:
198.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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