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6294-61-7 | 1-Pyridin-3-yl-heptan-1-one
CAS No: 6294-61-7 Catalog No: AG00EL5Q MDL No:
Product Description
Catalog Number:
AG00EL5Q
Chemical Name:
1-Pyridin-3-yl-heptan-1-one
CAS Number:
6294-61-7
IUPAC Name:
1-pyridin-3-ylheptan-1-one
InChI:
InChI=1S/C12H17NO/c1-2-3-4-5-8-12(14)11-7-6-9-13-10-11/h6-7,9-10H,2-5,8H2,1H3
InChI Key:
WJKSBMMOBQQEDB-UHFFFAOYSA-N
NSC Number:
9493
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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