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145793-33-5 | 3H-Xanthen-3-one, 9-(2,4-dimethoxyphenyl)-2,6,7-trihydroxy-
CAS No: 145793-33-5 Catalog No: AG001DE7 MDL No:
Product Description
Catalog Number:
AG001DE7
Chemical Name:
3H-Xanthen-3-one, 9-(2,4-dimethoxyphenyl)-2,6,7-trihydroxy-
CAS Number:
145793-33-5
Molecular Formula:
C21H16O7
Molecular Weight:
380.3475
IUPAC Name:
9-(2,4-dimethoxyphenyl)-2,6,7-trihydroxyxanthen-3-one
InChI:
InChI=1S/C21H16O7/c1-26-10-3-4-11(18(5-10)27-2)21-12-6-14(22)16(24)8-19(12)28-20-9-17(25)15(23)7-13(20)21/h3-9,22-24H,1-2H3
InChI Key:
USNSCBWLBGNDOX-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)OC)c1c2cc(O)c(=O)cc2oc2c1cc(O)c(c2)O
Properties
Complexity:
737
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.09g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
380.352g/mol
Monoisotopic Mass:
380.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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