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Home > Pyridines > 865074-85-7
865074-85-7 | 3-(2-Methyl-pyridin-4-yl)-hexane-1,5-diol
CAS No: 865074-85-7 Catalog No: AG01EXXX MDL No:MFCD06637804
Product Description
Catalog Number:
AG01EXXX
Chemical Name:
3-(2-Methyl-pyridin-4-yl)-hexane-1,5-diol
CAS Number:
865074-85-7
Molecular Formula:
C12H19NO2
Molecular Weight:
209.2848
MDL Number:
MFCD06637804
IUPAC Name:
3-(2-methylpyridin-4-yl)hexane-1,5-diol
InChI:
InChI=1S/C12H19NO2/c1-9-7-11(3-5-13-9)12(4-6-14)8-10(2)15/h3,5,7,10,12,14-15H,4,6,8H2,1-2H3
InChI Key:
LIFCAEGXHCVVOE-UHFFFAOYSA-N
SMILES:
OCCC(c1ccnc(c1)C)CC(O)C
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.142g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.289g/mol
Monoisotopic Mass:
209.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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