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1415795-51-5 | 9H-Xanthen-9-one, 8-hydroxy-1,2,3,5-tetramethoxy-
CAS No: 1415795-51-5 Catalog No: AG001GLX MDL No:
Product Description
Catalog Number:
AG001GLX
Chemical Name:
9H-Xanthen-9-one, 8-hydroxy-1,2,3,5-tetramethoxy-
CAS Number:
1415795-51-5
Molecular Formula:
C17H16O7
Molecular Weight:
332.3047
IUPAC Name:
8-hydroxy-1,2,3,5-tetramethoxyxanthen-9-one
InChI:
InChI=1S/C17H16O7/c1-20-9-6-5-8(18)12-14(19)13-10(24-15(9)12)7-11(21-2)16(22-3)17(13)23-4/h5-7,18H,1-4H3
InChI Key:
INPVBAKWKVYAES-UHFFFAOYSA-N
SMILES:
COc1cc2oc3c(OC)ccc(c3c(=O)c2c(c1OC)OC)O
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.09g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.308g/mol
Monoisotopic Mass:
332.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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