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Home > Aldehydes > 877668-54-7
877668-54-7 | 1,4-Benzenedicarboxaldehyde, 2-[(2-ethylhexyl)thio]-5-methoxy-
CAS No: 877668-54-7 Catalog No: AG004FB2 MDL No:
Product Description
Catalog Number:
AG004FB2
Chemical Name:
1,4-Benzenedicarboxaldehyde, 2-[(2-ethylhexyl)thio]-5-methoxy-
CAS Number:
877668-54-7
Molecular Formula:
C17H24O3S
Molecular Weight:
308.4357
IUPAC Name:
2-(2-ethylhexylsulfanyl)-5-methoxyterephthalaldehyde
InChI:
InChI=1S/C17H24O3S/c1-4-6-7-13(5-2)12-21-17-9-14(10-18)16(20-3)8-15(17)11-19/h8-11,13H,4-7,12H2,1-3H3
InChI Key:
WGYLFCDCBPVOLJ-UHFFFAOYSA-N
SMILES:
CCCCC(CSc1cc(C=O)c(cc1C=O)OC)CC
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.145g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.436g/mol
Monoisotopic Mass:
308.145g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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