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161193-00-6 | Butanoic acid, 2-hydroxy-4-(methylthio)-, hexyl ester
CAS No: 161193-00-6 Catalog No: AG001S8Y MDL No:
Product Description
Catalog Number:
AG001S8Y
Chemical Name:
Butanoic acid, 2-hydroxy-4-(methylthio)-, hexyl ester
CAS Number:
161193-00-6
Molecular Formula:
C11H22O3S
Molecular Weight:
234.3556
IUPAC Name:
hexyl 2-hydroxy-4-methylsulfanylbutanoate
InChI:
InChI=1S/C11H22O3S/c1-3-4-5-6-8-14-11(13)10(12)7-9-15-2/h10,12H,3-9H2,1-2H3
InChI Key:
YWWBUZVHTWILSP-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)C(CCSC)O
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.129g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.354g/mol
Monoisotopic Mass:
234.129g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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