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14712-66-4 | 3,5-Bis(pyridin-4-yl)heptane-1,7-diol
CAS No: 14712-66-4 Catalog No: AG01FD7Z MDL No:MFCD06637687
Product Description
Catalog Number:
AG01FD7Z
Chemical Name:
3,5-Bis(pyridin-4-yl)heptane-1,7-diol
CAS Number:
14712-66-4
Molecular Formula:
C17H22N2O2
Molecular Weight:
286.3688
MDL Number:
MFCD06637687
IUPAC Name:
3,5-dipyridin-4-ylheptane-1,7-diol
InChI:
InChI=1S/C17H22N2O2/c20-11-5-16(14-1-7-18-8-2-14)13-17(6-12-21)15-3-9-19-10-4-15/h1-4,7-10,16-17,20-21H,5-6,11-13H2
InChI Key:
NKHOMPJKCHDRHF-UHFFFAOYSA-N
SMILES:
OCCC(c1ccncc1)CC(c1ccncc1)CCO
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.168g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.375g/mol
Monoisotopic Mass:
286.168g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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