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137119-93-8

137119-93-8 | 1-Tetradecanol, 3-(phenylmethoxy)-, methanesulfonate, (3R)- (9CI)

CAS No: 137119-93-8 Catalog No: AG0012UX MDL No:

Product Description

Catalog Number:
AG0012UX
Chemical Name:
1-Tetradecanol, 3-(phenylmethoxy)-, methanesulfonate, (3R)- (9CI)
CAS Number:
137119-93-8
Molecular Formula:
C22H38O4S
Molecular Weight:
398.5997
IUPAC Name:
methanesulfonic acid;3-phenylmethoxytetradecan-1-ol
InChI:
InChI=1S/C21H36O2.CH4O3S/c1-2-3-4-5-6-7-8-9-13-16-21(17-18-22)23-19-20-14-11-10-12-15-20;1-5(2,3)4/h10-12,14-15,21-22H,2-9,13,16-19H2,1H3;1H3,(H,2,3,4)
InChI Key:
HBPIWICTXHCJIP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC[C@@H](OCc1ccccc1)CCOS(=O)(=O)C

Properties

Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.26g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
416.617g/mol
Monoisotopic Mass:
416.26g/mol
Rotatable Bond Count:
15  
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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