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13616-73-4 | Benzaldehyde, 5-methyl-2-(methylthio)-
CAS No: 13616-73-4 Catalog No: AG007MVK MDL No:
Product Description
Catalog Number:
AG007MVK
Chemical Name:
Benzaldehyde, 5-methyl-2-(methylthio)-
CAS Number:
13616-73-4
Molecular Formula:
C9H10OS
Molecular Weight:
166.2401
IUPAC Name:
5-methyl-2-methylsulfanylbenzaldehyde
InChI:
InChI=1S/C9H10OS/c1-7-3-4-9(11-2)8(5-7)6-10/h3-6H,1-2H3
InChI Key:
ORJUTUPXGUUBJO-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)ccc1SC
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.045g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.238g/mol
Monoisotopic Mass:
166.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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