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Home > Other Heterocycles > 29074-97-3
29074-97-3 | 1,1'-Spirobi[1H,3H-benzo[1,2-c:4,5-c']difuran]-3,3',5,5',7,7'-hexone
CAS No: 29074-97-3 Catalog No: AG002X99 MDL No:
Product Description
Catalog Number:
AG002X99
Chemical Name:
1,1'-Spirobi[1H,3H-benzo[1,2-c:4,5-c']difuran]-3,3',5,5',7,7'-hexone
CAS Number:
29074-97-3
Molecular Formula:
C19H4O10
Molecular Weight:
392.2291
IUPAC Name:
1,1'-spirobi[furo[3,4-f][2]benzofuran]-3,3',5,5',7,7'-hexone
InChI:
InChI=1S/C19H4O10/c20-13-5-1-9-11(3-7(5)15(22)26-13)19(28-17(9)24)12-4-8-6(14(21)27-16(8)23)2-10(12)18(25)29-19/h1-4H
InChI Key:
DNYCDLICIZELTQ-UHFFFAOYSA-N
SMILES:
O=C1OC2(c3c1cc1C(=O)OC(=O)c1c3)OC(=O)c1c2cc2C(=O)OC(=O)c2c1
Properties
Complexity:
846
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.98g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.231g/mol
Monoisotopic Mass:
391.98g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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