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Home > Aldehydes > 106092-52-8
106092-52-8 | 9H-Xanthene-4-acetaldehyde, 1,5-dimethoxy-9-oxo-3-(phenylmethoxy)-
CAS No: 106092-52-8 Catalog No: AG007VQG MDL No:
Product Description
Catalog Number:
AG007VQG
Chemical Name:
9H-Xanthene-4-acetaldehyde, 1,5-dimethoxy-9-oxo-3-(phenylmethoxy)-
CAS Number:
106092-52-8
Molecular Formula:
C24H20O6
Molecular Weight:
404.4120
IUPAC Name:
2-(1,5-dimethoxy-9-oxo-3-phenylmethoxyxanthen-4-yl)acetaldehyde
InChI:
InChI=1S/C24H20O6/c1-27-18-10-6-9-17-22(26)21-20(28-2)13-19(29-14-15-7-4-3-5-8-15)16(11-12-25)24(21)30-23(17)18/h3-10,12-13H,11,14H2,1-2H3
InChI Key:
KVXLDTWLTATMQG-UHFFFAOYSA-N
SMILES:
O=CCc1c(OCc2ccccc2)cc(c2c1oc1c(OC)cccc1c2=O)OC
Properties
Complexity:
588
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.126g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.418g/mol
Monoisotopic Mass:
404.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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