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68845-30-7

68845-30-7 | Acetic acid, mercapto-, isodecyl ester

CAS No: 68845-30-7 Catalog No: AG006GHL MDL No:

Product Description

Catalog Number:
AG006GHL
Chemical Name:
Acetic acid, mercapto-, isodecyl ester
CAS Number:
68845-30-7
Molecular Formula:
C12H24O2S
Molecular Weight:
232.3828
IUPAC Name:
8-methylnonyl 2-sulfanylacetate
InChI:
InChI=1S/C12H24O2S/c1-11(2)8-6-4-3-5-7-9-14-12(13)10-15/h11,15H,3-10H2,1-2H3
InChI Key:
CBXRMWPHQZKUQS-UHFFFAOYSA-N
SMILES:
SCC(=O)OCCCCCCCC(C)C
EC Number:
272-457-6

Properties

Complexity:
158  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
232.382g/mol
Monoisotopic Mass:
232.15g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  

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