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1443313-30-1 | Ethyl 2-(2-methoxyphenyl)sulfanyl-2-oxo-acetate
CAS No: 1443313-30-1 Catalog No: AG01F9VF MDL No:
Product Description
Catalog Number:
AG01F9VF
Chemical Name:
Ethyl 2-(2-methoxyphenyl)sulfanyl-2-oxo-acetate
CAS Number:
1443313-30-1
Molecular Formula:
C11H12O4S
Molecular Weight:
240.2756
IUPAC Name:
ethyl 2-(2-methoxyphenyl)sulfanyl-2-oxoacetate
InChI:
InChI=1S/C11H12O4S/c1-3-15-10(12)11(13)16-9-7-5-4-6-8(9)14-2/h4-7H,3H2,1-2H3
InChI Key:
NGTGQDHXDMYNCB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)Sc1ccccc1OC
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.273g/mol
Monoisotopic Mass:
240.046g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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