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89860-27-5 | 2-Hexanone, 4-(2-pyridinyl)-
CAS No: 89860-27-5 Catalog No: AG003X2J MDL No:
Product Description
Catalog Number:
AG003X2J
Chemical Name:
2-Hexanone, 4-(2-pyridinyl)-
CAS Number:
89860-27-5
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
IUPAC Name:
4-pyridin-2-ylhexan-2-one
InChI:
InChI=1S/C11H15NO/c1-3-10(8-9(2)13)11-6-4-5-7-12-11/h4-7,10H,3,8H2,1-2H3
InChI Key:
RNQGIELLFORLPK-UHFFFAOYSA-N
SMILES:
CCC(c1ccccn1)CC(=O)C
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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