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89860-35-5 | 2-Hepten-1-ol, 3-methyl-5-(2-pyridinyl)-, (E)-
CAS No: 89860-35-5 Catalog No: AG003WR7 MDL No:
Product Description
Catalog Number:
AG003WR7
Chemical Name:
2-Hepten-1-ol, 3-methyl-5-(2-pyridinyl)-, (E)-
CAS Number:
89860-35-5
Molecular Formula:
C13H19NO
Molecular Weight:
205.2961
IUPAC Name:
3-methyl-5-pyridin-2-ylhept-2-en-1-ol
InChI:
InChI=1S/C13H19NO/c1-3-12(10-11(2)7-9-15)13-6-4-5-8-14-13/h4-8,12,15H,3,9-10H2,1-2H3
InChI Key:
KNYRLNPPVIBWBH-UHFFFAOYSA-N
SMILES:
OC/C=C(/CC(c1ccccn1)CC)\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:
205.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.301g/mol
Monoisotopic Mass:
205.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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