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109347-44-6 | Benzeneacetaldehyde, 4-(methylthio)-
CAS No: 109347-44-6 Catalog No: AG0082JS MDL No:MFCD11553613
Product Description
Catalog Number:
AG0082JS
Chemical Name:
Benzeneacetaldehyde, 4-(methylthio)-
CAS Number:
109347-44-6
Molecular Formula:
C9H10OS
Molecular Weight:
166.2401
MDL Number:
MFCD11553613
IUPAC Name:
2-(4-methylsulfanylphenyl)acetaldehyde
InChI:
InChI=1S/C9H10OS/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5,7H,6H2,1H3
InChI Key:
KYPNZBIRXXYZMV-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)CC=O
Properties
Complexity:
117
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:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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