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16849-97-1 | ISO-AMYL THIOGLYCOLATE
CAS No: 16849-97-1 Catalog No: AG00AKZH MDL No:MFCD00022086
Product Description
Catalog Number:
AG00AKZH
Chemical Name:
ISO-AMYL THIOGLYCOLATE
CAS Number:
16849-97-1
MDL Number:
MFCD00022086
IUPAC Name:
3-methylbutyl 2-sulfanylacetate
InChI:
InChI=1S/C7H14O2S/c1-6(2)3-4-9-7(8)5-10/h6,10H,3-5H2,1-2H3
InChI Key:
WNMCXBGTMQTKEU-UHFFFAOYSA-N
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.071g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.247g/mol
Monoisotopic Mass:
162.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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