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114481-01-5 | Hexanoic acid, 2-(sulfooxy)ethyl ester
CAS No: 114481-01-5 Catalog No: AG000EHU MDL No:
Product Description
Catalog Number:
AG000EHU
Chemical Name:
Hexanoic acid, 2-(sulfooxy)ethyl ester
CAS Number:
114481-01-5
Molecular Formula:
C8H16O6S
Molecular Weight:
240.2740
IUPAC Name:
2-sulfooxyethyl hexanoate
InChI:
InChI=1S/C8H16O6S/c1-2-3-4-5-8(9)13-6-7-14-15(10,11)12/h2-7H2,1H3,(H,10,11,12)
InChI Key:
TULKQHKLCQDKOB-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)OCCOS(=O)(=O)O
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.27g/mol
Monoisotopic Mass:
240.067g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
98.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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