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102542-59-6 | 13-Docosen-1-ol, 1-methanesulfonate
CAS No: 102542-59-6 Catalog No: AG0007P6 MDL No:
Product Description
Catalog Number:
AG0007P6
Chemical Name:
13-Docosen-1-ol, 1-methanesulfonate
CAS Number:
102542-59-6
Molecular Formula:
C23H46O3S
Molecular Weight:
402.6745
IUPAC Name:
docos-13-enyl methanesulfonate
InChI:
InChI=1S/C23H46O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-27(2,24)25/h10-11H,3-9,12-23H2,1-2H3
InChI Key:
LQEQEAAOCYCCFX-UHFFFAOYSA-N
SMILES:
CCCCCCCCC=CCCCCCCCCCCCCOS(=O)(=O)C
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.317g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.678g/mol
Monoisotopic Mass:
402.317g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
9.7
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