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1020719-41-8 | Propanoic acid, 3-(methyl-d3-thio)-, ethyl ester
CAS No: 1020719-41-8 Catalog No: AG0006JJ MDL No:
Product Description
Catalog Number:
AG0006JJ
Chemical Name:
Propanoic acid, 3-(methyl-d3-thio)-, ethyl ester
CAS Number:
1020719-41-8
Molecular Formula:
C6H9D3O2S
Molecular Weight:
151.2418
IUPAC Name:
ethyl 3-(trideuteriomethylsulfanyl)propanoate
InChI:
InChI=1S/C6H12O2S/c1-3-8-6(7)4-5-9-2/h3-5H2,1-2H3/i2D3
InChI Key:
YSNWHRKJEKWJNY-BMSJAHLVSA-N
SMILES:
CCOC(=O)CCSC([2H])([2H])[2H]
Properties
Complexity:
83.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.075g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
3
Molecular Weight:
151.238g/mol
Monoisotopic Mass:
151.075g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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