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Home > Aldehydes > 918340-90-6
918340-90-6 | Benzaldehyde, 4-[(1E)-2-(ethylthio)ethenyl]-
CAS No: 918340-90-6 Catalog No: AG006G4U MDL No:
Product Description
Catalog Number:
AG006G4U
Chemical Name:
Benzaldehyde, 4-[(1E)-2-(ethylthio)ethenyl]-
CAS Number:
918340-90-6
Molecular Formula:
C11H12OS
Molecular Weight:
192.2774
IUPAC Name:
4-(2-ethylsulfanylethenyl)benzaldehyde
InChI:
InChI=1S/C11H12OS/c1-2-13-8-7-10-3-5-11(9-12)6-4-10/h3-9H,2H2,1H3
InChI Key:
HBJRQBKHECQRJQ-UHFFFAOYSA-N
SMILES:
CCS/C=C/c1ccc(cc1)C=O
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.061g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.276g/mol
Monoisotopic Mass:
192.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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