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1344355-79-8 | "1-(2,3-dimethoxyphenyl)-2-(methylsulfanyl)ethan-1-one"
CAS No: 1344355-79-8 Catalog No: AG01FN0O MDL No:MFCD19667761
Product Description
Catalog Number:
AG01FN0O
Chemical Name:
"1-(2,3-dimethoxyphenyl)-2-(methylsulfanyl)ethan-1-one"
CAS Number:
1344355-79-8
Molecular Formula:
C11H14O3S
Molecular Weight:
226.2921
MDL Number:
MFCD19667761
IUPAC Name:
1-(2,3-dimethoxyphenyl)-2-methylsulfanylethanone
InChI:
InChI=1S/C11H14O3S/c1-13-10-6-4-5-8(11(10)14-2)9(12)7-15-3/h4-6H,7H2,1-3H3
InChI Key:
MDHCZWZBQLDDPH-UHFFFAOYSA-N
SMILES:
CSCC(=O)c1cccc(c1OC)OC
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.066g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.29g/mol
Monoisotopic Mass:
226.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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