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1617-49-8 | [1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 2-hydroxy-3,7,8-trimethoxy-
CAS No: 1617-49-8 Catalog No: AG001VTD MDL No:MFCD20260578
Product Description
Catalog Number:
AG001VTD
Chemical Name:
[1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 2-hydroxy-3,7,8-trimethoxy-
CAS Number:
1617-49-8
Molecular Formula:
C17H12O8
Molecular Weight:
344.2724
MDL Number:
MFCD20260578
IUPAC Name:
6-hydroxy-7,13,14-trimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
InChI:
InChI=1S/C17H12O8/c1-21-9-5-7-11-10-6(16(19)25-15(11)13(9)23-3)4-8(18)12(22-2)14(10)24-17(7)20/h4-5,18H,1-3H3
InChI Key:
LXEQIOGTMDLLEC-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc2c3c1oc(=O)c1c3c(oc2=O)c(c(c1)O)OC
NSC Number:
333299
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.053g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.275g/mol
Monoisotopic Mass:
344.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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