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88594-75-6 | 2-Propanone, 1-[2-methoxy-4-(methylthio)phenyl]-
CAS No: 88594-75-6 Catalog No: AG004B3F MDL No:
Product Description
Catalog Number:
AG004B3F
Chemical Name:
2-Propanone, 1-[2-methoxy-4-(methylthio)phenyl]-
CAS Number:
88594-75-6
Molecular Formula:
C11H14O2S
Molecular Weight:
210.2927
IUPAC Name:
1-(2-methoxy-4-methylsulfanylphenyl)propan-2-one
InChI:
InChI=1S/C11H14O2S/c1-8(12)6-9-4-5-10(14-3)7-11(9)13-2/h4-5,7H,6H2,1-3H3
InChI Key:
OSPYAHKMKNBPQB-UHFFFAOYSA-N
SMILES:
COc1cc(SC)ccc1CC(=O)C
Properties
Complexity:
194
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:
4
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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