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865075-95-2 | 3-Butyl-3-pyridin-4-yl-heptan-1-ol
CAS No: 865075-95-2 Catalog No: AG01EXYS MDL No:MFCD06637447
Product Description
Catalog Number:
AG01EXYS
Chemical Name:
3-Butyl-3-pyridin-4-yl-heptan-1-ol
CAS Number:
865075-95-2
Molecular Formula:
C16H27NO
Molecular Weight:
249.3917
MDL Number:
MFCD06637447
IUPAC Name:
3-butyl-3-pyridin-4-ylheptan-1-ol
InChI:
InChI=1S/C16H27NO/c1-3-5-9-16(11-14-18,10-6-4-2)15-7-12-17-13-8-15/h7-8,12-13,18H,3-6,9-11,14H2,1-2H3
InChI Key:
HKORZLPKADJLNQ-UHFFFAOYSA-N
SMILES:
CCCCC(c1ccncc1)(CCCC)CCO
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.209g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.398g/mol
Monoisotopic Mass:
249.209g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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