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75929-58-7 | DM-6-CF
CAS No: 75929-58-7 Catalog No: AG005HC8 MDL No:
Product Description
Catalog Number:
AG005HC8
Chemical Name:
DM-6-CF
CAS Number:
75929-58-7
Molecular Formula:
C23H16O9
Molecular Weight:
436.3677
IUPAC Name:
3',6'-dihydroxy-4',5'-dimethoxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid
InChI:
InChI=1S/C23H16O9/c1-29-19-15(24)7-5-12-17(19)31-18-13(6-8-16(25)20(18)30-2)23(12)14-9-10(21(26)27)3-4-11(14)22(28)32-23/h3-9,24-25H,1-2H3,(H,26,27)
InChI Key:
DCPHSBOTFHCNQC-UHFFFAOYSA-N
SMILES:
COc1c(O)ccc2c1Oc1c(OC)c(O)ccc1C12OC(=O)c2c1cc(cc2)C(=O)O
Properties
Complexity:
724
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.079g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
436.372g/mol
Monoisotopic Mass:
436.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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