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114567-34-9 | [1]Benzopyrano[3,4-b][1]benzopyran-12(6H)-one, 6,9,11-trihydroxy-10-methyl-
CAS No: 114567-34-9 Catalog No: AG000EOS MDL No:MFCD21608445
Product Description
Catalog Number:
AG000EOS
Chemical Name:
[1]Benzopyrano[3,4-b][1]benzopyran-12(6H)-one, 6,9,11-trihydroxy-10-methyl-
CAS Number:
114567-34-9
Molecular Formula:
C17H12O6
Molecular Weight:
312.2736
MDL Number:
MFCD21608445
IUPAC Name:
6,9,11-trihydroxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one
InChI:
InChI=1S/C17H12O6/c1-7-9(18)6-11-13(14(7)19)15(20)12-8-4-2-3-5-10(8)23-17(21)16(12)22-11/h2-6,17-19,21H,1H3
InChI Key:
YVVDYYFGAWQOGB-UHFFFAOYSA-N
SMILES:
OC1Oc2ccccc2c2c1oc1cc(O)c(c(c1c2=O)O)C
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.063g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
312.277g/mol
Monoisotopic Mass:
312.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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