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319452-62-5 | ethyl 6-sulfohexanoate
CAS No: 319452-62-5 Catalog No: AG01BRYG MDL No:MFCD19200299
Product Description
Catalog Number:
AG01BRYG
Chemical Name:
ethyl 6-sulfohexanoate
CAS Number:
319452-62-5
Molecular Formula:
C8H15ClO4S
Molecular Weight:
242.7203
MDL Number:
MFCD19200299
IUPAC Name:
ethyl 6-chlorosulfonylhexanoate
InChI:
InChI=1S/C8H15ClO4S/c1-2-13-8(10)6-4-3-5-7-14(9,11)12/h2-7H2,1H3
InChI Key:
OZUXFLPHSAOFDU-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCS(=O)(=O)Cl
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.714g/mol
Monoisotopic Mass:
242.038g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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