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13071-60-8 | 1-Propanol, 2,3-bis(hexadecyloxy)-
CAS No: 13071-60-8 Catalog No: AG000UU0 MDL No:MFCD00048476
Product Description
Catalog Number:
AG000UU0
Chemical Name:
1-Propanol, 2,3-bis(hexadecyloxy)-
CAS Number:
13071-60-8
Molecular Formula:
C35H72O3
Molecular Weight:
540.9444
MDL Number:
MFCD00048476
IUPAC Name:
2,3-dihexadecoxypropan-1-ol
InChI:
InChI=1S/C35H72O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-34-35(33-36)38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36H,3-34H2,1-2H3
InChI Key:
YQDJMFFVPVZWNK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOCC(OCCCCCCCCCCCCCCCC)CO
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
540.548g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
540.958g/mol
Monoisotopic Mass:
540.548g/mol
Rotatable Bond Count:
34
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
14.8
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