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848601-67-2 | 1,3,4,6,7-Dibenzofuranpentol, 2-[4-(acetyloxy)phenyl]-, pentaacetate
CAS No: 848601-67-2 Catalog No: AG004MMG MDL No:
Product Description
Catalog Number:
AG004MMG
Chemical Name:
1,3,4,6,7-Dibenzofuranpentol, 2-[4-(acetyloxy)phenyl]-, pentaacetate
CAS Number:
848601-67-2
Molecular Formula:
C30H34O18
Molecular Weight:
682.5802
IUPAC Name:
acetic acid;[4-(1,3,4,6,7-pentahydroxydibenzofuran-2-yl)phenyl] acetate
InChI:
InChI=1S/C20H14O8.5C2H4O2/c1-8(21)27-10-4-2-9(3-5-10)13-16(24)14-11-6-7-12(22)15(23)19(11)28-20(14)18(26)17(13)25;5*1-2(3)4/h2-7,22-26H,1H3;5*1H3,(H,3,4)
InChI Key:
ZTBIMWOVVPSPCE-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(cc1)c1c(O)c(O)c2c(c1O)c1ccc(c(c1o2)O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O
Properties
Complexity:
608
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
6
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
682.175g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
18
Hydrogen Bond Donor Count:
10
Isotope Atom Count:
0
Molecular Weight:
682.584g/mol
Monoisotopic Mass:
682.175g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
327A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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