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183303-90-4 | Benzaldehyde, 4-[2-(3,4-dimethoxyphenyl)-2-hydroxyethoxy]-2-methoxy-
CAS No: 183303-90-4 Catalog No: AG0027H3 MDL No:
Product Description
Catalog Number:
AG0027H3
Chemical Name:
Benzaldehyde, 4-[2-(3,4-dimethoxyphenyl)-2-hydroxyethoxy]-2-methoxy-
CAS Number:
183303-90-4
Molecular Formula:
C18H20O6
Molecular Weight:
332.3478
IUPAC Name:
4-[2-(3,4-dimethoxyphenyl)-2-hydroxyethoxy]-2-methoxybenzaldehyde
InChI:
InChI=1S/C18H20O6/c1-21-16-7-5-12(8-18(16)23-3)15(20)11-24-14-6-4-13(10-19)17(9-14)22-2/h4-10,15,20H,11H2,1-3H3
InChI Key:
GPXHWQBJGVJROB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OC)C(COc1ccc(c(c1)OC)C=O)O
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.126g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.352g/mol
Monoisotopic Mass:
332.126g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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