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127705-19-5 | Hexanoic acid, 6-(pentylthio)-, methyl ester
CAS No: 127705-19-5 Catalog No: AG000XBC MDL No:
Product Description
Catalog Number:
AG000XBC
Chemical Name:
Hexanoic acid, 6-(pentylthio)-, methyl ester
CAS Number:
127705-19-5
Molecular Formula:
C12H24O2S
Molecular Weight:
232.3828
IUPAC Name:
methyl 6-pentylsulfanylhexanoate
InChI:
InChI=1S/C12H24O2S/c1-3-4-7-10-15-11-8-5-6-9-12(13)14-2/h3-11H2,1-2H3
InChI Key:
BSSWKEYMZQYYMM-UHFFFAOYSA-N
SMILES:
CCCCCSCCCCCC(=O)OC
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.15g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.382g/mol
Monoisotopic Mass:
232.15g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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