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20292-01-7 | Acetic acid, 2-mercapto-, hexyl ester
CAS No: 20292-01-7 Catalog No: AG0028K3 MDL No:
Product Description
Catalog Number:
AG0028K3
Chemical Name:
Acetic acid, 2-mercapto-, hexyl ester
CAS Number:
20292-01-7
Molecular Formula:
C8H16O2S
Molecular Weight:
176.2764
IUPAC Name:
hexyl 2-sulfanylacetate
InChI:
InChI=1S/C8H16O2S/c1-2-3-4-5-6-10-8(9)7-11/h11H,2-7H2,1H3
InChI Key:
HTTYRACTMYJREK-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)CS
EC Number:
243-696-3
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.087g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.274g/mol
Monoisotopic Mass:
176.087g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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