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1250794-30-9 | Ethyl 2-[(2-Methoxy-2-oxoethyl)sulfanyl]propanoate
CAS No: 1250794-30-9 Catalog No: AG01F8YZ MDL No:MFCD16089606
Product Description
Catalog Number:
AG01F8YZ
Chemical Name:
Ethyl 2-[(2-Methoxy-2-oxoethyl)sulfanyl]propanoate
CAS Number:
1250794-30-9
Molecular Formula:
C8H14O4S
Molecular Weight:
206.2594
MDL Number:
MFCD16089606
IUPAC Name:
ethyl 2-(2-methoxy-2-oxoethyl)sulfanylpropanoate
InChI:
InChI=1S/C8H14O4S/c1-4-12-8(10)6(2)13-5-7(9)11-3/h6H,4-5H2,1-3H3
InChI Key:
HGPRQOSHVSLOSF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(SCC(=O)OC)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.061g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.256g/mol
Monoisotopic Mass:
206.061g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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