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89860-50-4 | 2,7-Octadien-1-ol, 3-methyl-5-(2-pyridinyl)-, (Z)-
CAS No: 89860-50-4 Catalog No: AG003XCP MDL No:
Product Description
Catalog Number:
AG003XCP
Chemical Name:
2,7-Octadien-1-ol, 3-methyl-5-(2-pyridinyl)-, (Z)-
CAS Number:
89860-50-4
Molecular Formula:
C14H19NO
Molecular Weight:
217.3068
IUPAC Name:
3-methyl-5-pyridin-2-ylocta-2,7-dien-1-ol
InChI:
InChI=1S/C14H19NO/c1-3-6-13(11-12(2)8-10-16)14-7-4-5-9-15-14/h3-5,7-9,13,16H,1,6,10-11H2,2H3
InChI Key:
ISKDVUBKWSDGQR-UHFFFAOYSA-N
SMILES:
C=CCC(c1ccccn1)C/C(=C\CO)/C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.147g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.312g/mol
Monoisotopic Mass:
217.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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