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89290-87-9 | 2-Propanol, 1-(octadecyloxy)-3-(2-pyridinyloxy)-
CAS No: 89290-87-9 Catalog No: AG00406H MDL No:
Product Description
Catalog Number:
AG00406H
Chemical Name:
2-Propanol, 1-(octadecyloxy)-3-(2-pyridinyloxy)-
CAS Number:
89290-87-9
Molecular Formula:
C26H47NO3
Molecular Weight:
421.6563
IUPAC Name:
1-octadecoxy-3-pyridin-2-yloxypropan-2-ol
InChI:
InChI=1S/C26H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-29-23-25(28)24-30-26-20-17-18-21-27-26/h17-18,20-21,25,28H,2-16,19,22-24H2,1H3
InChI Key:
NJKYHBCIAYPKOB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOCC(COc1ccccn1)O
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.356g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
421.666g/mol
Monoisotopic Mass:
421.356g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
9.2
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