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16662-64-9 | 1,2-Dithiolane-3-pentanoic acid, 4-methyl-
CAS No: 16662-64-9 Catalog No: AG001WVE MDL No:
Product Description
Catalog Number:
AG001WVE
Chemical Name:
1,2-Dithiolane-3-pentanoic acid, 4-methyl-
CAS Number:
16662-64-9
Molecular Formula:
C9H16O2S2
Molecular Weight:
220.3521
IUPAC Name:
5-(4-methyldithiolan-3-yl)pentanoic acid
InChI:
InChI=1S/C9H16O2S2/c1-7-6-12-13-8(7)4-2-3-5-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)
InChI Key:
VXUNWGOZDGNFRF-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCC1SSCC1C
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.345g/mol
Monoisotopic Mass:
220.059g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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