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88339-55-3 | Benzaldehyde, 2,4,6-trimethyl-3-(methylthio)-
CAS No: 88339-55-3 Catalog No: AG0047WV MDL No:
Product Description
Catalog Number:
AG0047WV
Chemical Name:
Benzaldehyde, 2,4,6-trimethyl-3-(methylthio)-
CAS Number:
88339-55-3
Molecular Formula:
C11H14OS
Molecular Weight:
194.2933
IUPAC Name:
2,4,6-trimethyl-3-methylsulfanylbenzaldehyde
InChI:
InChI=1S/C11H14OS/c1-7-5-8(2)11(13-4)9(3)10(7)6-12/h5-6H,1-4H3
InChI Key:
UXEKJIWCJGVYRL-UHFFFAOYSA-N
SMILES:
CSc1c(C)cc(c(c1C)C=O)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.077g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.292g/mol
Monoisotopic Mass:
194.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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