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Home > Aldehydes > 445039-99-6
445039-99-6 | 4'-Methylsulfanyl-biphenyl-2-carbaldehyde
CAS No: 445039-99-6 Catalog No: AG01EW12 MDL No:
Product Description
Catalog Number:
AG01EW12
Chemical Name:
4'-Methylsulfanyl-biphenyl-2-carbaldehyde
CAS Number:
445039-99-6
Molecular Formula:
C14H12OS
Molecular Weight:
228.3095
IUPAC Name:
2-(4-methylsulfanylphenyl)benzaldehyde
InChI:
InChI=1S/C14H12OS/c1-16-13-8-6-11(7-9-13)14-5-3-2-4-12(14)10-15/h2-10H,1H3
InChI Key:
BMGKDSFKKXRHDS-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1ccccc1C=O
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.061g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.309g/mol
Monoisotopic Mass:
228.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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