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84214-68-6 | Butanedioic acid, mercapto-, monohexyl ester
CAS No: 84214-68-6 Catalog No: AG004RK1 MDL No:
Product Description
Catalog Number:
AG004RK1
Chemical Name:
Butanedioic acid, mercapto-, monohexyl ester
CAS Number:
84214-68-6
Molecular Formula:
C10H17O4S-
Molecular Weight:
233.3046
IUPAC Name:
4-hexoxy-4-oxo-3-sulfanylbutanoate
InChI:
InChI=1S/C10H18O4S/c1-2-3-4-5-6-14-10(13)8(15)7-9(11)12/h8,15H,2-7H2,1H3,(H,11,12)/p-1
InChI Key:
AKWLSBGVYJYBAL-UHFFFAOYSA-M
SMILES:
CCCCCCOC(=O)C(CC(=O)[O-])S
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.085g/mol
Formal Charge:
-1
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.302g/mol
Monoisotopic Mass:
233.085g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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