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91339-85-4 | 1-(pyridin-2-yl)hexan-2-ol
CAS No: 91339-85-4 Catalog No: AG01AHH9 MDL No:MFCD01691750
Product Description
Catalog Number:
AG01AHH9
Chemical Name:
1-(pyridin-2-yl)hexan-2-ol
CAS Number:
91339-85-4
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
MDL Number:
MFCD01691750
IUPAC Name:
1-pyridin-2-ylhexan-2-ol
InChI:
InChI=1S/C11H17NO/c1-2-3-7-11(13)9-10-6-4-5-8-12-10/h4-6,8,11,13H,2-3,7,9H2,1H3
InChI Key:
YSSBADNWEDTEEQ-UHFFFAOYSA-N
SMILES:
CCCCC(Cc1ccccn1)O
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.263g/mol
Monoisotopic Mass:
179.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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