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89446-38-8 | Benzaldehyde, 3-[(2,2-diethoxyethyl)thio]-4,5-dimethoxy-
CAS No: 89446-38-8 Catalog No: AG0044F4 MDL No:
Product Description
Catalog Number:
AG0044F4
Chemical Name:
Benzaldehyde, 3-[(2,2-diethoxyethyl)thio]-4,5-dimethoxy-
CAS Number:
89446-38-8
Molecular Formula:
C15H22O5S
Molecular Weight:
314.3972
IUPAC Name:
3-(2,2-diethoxyethylsulfanyl)-4,5-dimethoxybenzaldehyde
InChI:
InChI=1S/C15H22O5S/c1-5-19-14(20-6-2)10-21-13-8-11(9-16)7-12(17-3)15(13)18-4/h7-9,14H,5-6,10H2,1-4H3
InChI Key:
UXPCZLYFPSRZJL-UHFFFAOYSA-N
SMILES:
CCOC(CSc1cc(C=O)cc(c1OC)OC)OCC
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.119g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.396g/mol
Monoisotopic Mass:
314.119g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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