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1516367-48-8

1516367-48-8 | 1-(3-ethoxyphenyl)-2-(methylsulfanyl)ethan-1-one

CAS No: 1516367-48-8 Catalog No: AG01FN1E MDL No:MFCD23864787

Product Description

Catalog Number:
AG01FN1E
Chemical Name:
1-(3-ethoxyphenyl)-2-(methylsulfanyl)ethan-1-one
CAS Number:
1516367-48-8
Molecular Formula:
C11H14O2S
Molecular Weight:
210.2927
MDL Number:
MFCD23864787
IUPAC Name:
1-(3-ethoxyphenyl)-2-methylsulfanylethanone
InChI:
InChI=1S/C11H14O2S/c1-3-13-10-6-4-5-9(7-10)11(12)8-14-2/h4-7H,3,8H2,1-2H3
InChI Key:
MJJMXOBOSDTJGA-UHFFFAOYSA-N
SMILES:
CSCC(=O)c1cccc(c1)OCC

Properties

Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.071g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.291g/mol
Monoisotopic Mass:
210.071g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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