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80278-72-4 | ethyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate
CAS No: 80278-72-4 Catalog No: AG005BS4 MDL No:
Product Description
Catalog Number:
AG005BS4
Chemical Name:
ethyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate
CAS Number:
80278-72-4
Molecular Formula:
C9H16O4S
Molecular Weight:
220.2859
IUPAC Name:
ethyl 3-(2-ethoxy-2-oxoethyl)sulfanylpropanoate
InChI:
InChI=1S/C9H16O4S/c1-3-12-8(10)5-6-14-7-9(11)13-4-2/h3-7H2,1-2H3
InChI Key:
VKVGPGWOHFRXIG-UHFFFAOYSA-N
SMILES:
CCOC(=O)CSCCC(=O)OCC
NSC Number:
96472
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.077g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.283g/mol
Monoisotopic Mass:
220.077g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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