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89860-30-0 | 6-Hepten-2-one, 4-(2-pyridinyl)-
CAS No: 89860-30-0 Catalog No: AG003XCT MDL No:
Product Description
Catalog Number:
AG003XCT
Chemical Name:
6-Hepten-2-one, 4-(2-pyridinyl)-
CAS Number:
89860-30-0
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
IUPAC Name:
4-pyridin-2-ylhept-6-en-2-one
InChI:
InChI=1S/C12H15NO/c1-3-6-11(9-10(2)14)12-7-4-5-8-13-12/h3-5,7-8,11H,1,6,9H2,2H3
InChI Key:
DKPVXINVSUHYTJ-UHFFFAOYSA-N
SMILES:
C=CCC(c1ccccn1)CC(=O)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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