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163657-47-4

163657-47-4 | 1-Hexanol, 6-[(4-methylphenyl)sulfonyl]-, 1-acetate

CAS No: 163657-47-4 Catalog No: AG001UAE MDL No:

Product Description

Catalog Number:
AG001UAE
Chemical Name:
1-Hexanol, 6-[(4-methylphenyl)sulfonyl]-, 1-acetate
CAS Number:
163657-47-4
Molecular Formula:
C15H22O4S
Molecular Weight:
298.3978
IUPAC Name:
acetic acid;6-(4-methylphenyl)sulfonylhexan-1-ol
InChI:
InChI=1S/C13H20O3S.C2H4O2/c1-12-6-8-13(9-7-12)17(15,16)11-5-3-2-4-10-14;1-2(3)4/h6-9,14H,2-5,10-11H2,1H3;1H3,(H,3,4)
InChI Key:
VMZGKSNTAKTROS-UHFFFAOYSA-N
SMILES:
CC(=O)OCCCCCCS(=O)(=O)c1ccc(cc1)C

Properties

Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.134g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
316.412g/mol
Monoisotopic Mass:
316.134g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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