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Home > Aldehydes > 823829-22-7
823829-22-7 | Benzaldehyde, 2,3,4-trimethoxy-6-[[(4-methoxyphenyl)methyl]thio]-
CAS No: 823829-22-7 Catalog No: AG004WZT MDL No:
Product Description
Catalog Number:
AG004WZT
Chemical Name:
Benzaldehyde, 2,3,4-trimethoxy-6-[[(4-methoxyphenyl)methyl]thio]-
CAS Number:
823829-22-7
Molecular Formula:
C18H20O5S
Molecular Weight:
348.4134
IUPAC Name:
2,3,4-trimethoxy-6-[(4-methoxyphenyl)methylsulfanyl]benzaldehyde
InChI:
InChI=1S/C18H20O5S/c1-20-13-7-5-12(6-8-13)11-24-16-9-15(21-2)18(23-4)17(22-3)14(16)10-19/h5-10H,11H2,1-4H3
InChI Key:
ARQIMYONPAQGND-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CSc1cc(OC)c(c(c1C=O)OC)OC
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.103g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.413g/mol
Monoisotopic Mass:
348.103g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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