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122640-83-9 | Dodecahydro-[5,5'-biisobenzofuran]-1,1',3,3'-tetraone
CAS No: 122640-83-9 Catalog No: AG003A6U MDL No:
Product Description
Catalog Number:
AG003A6U
Chemical Name:
Dodecahydro-[5,5'-biisobenzofuran]-1,1',3,3'-tetraone
CAS Number:
122640-83-9
Molecular Formula:
C16H18O6
Molecular Weight:
306.3105
IUPAC Name:
5-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-yl)-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
InChI:
InChI=1S/C16H18O6/c17-13-9-3-1-7(5-11(9)15(19)21-13)8-2-4-10-12(6-8)16(20)22-14(10)18/h7-12H,1-6H2
InChI Key:
SNHKMHUMILUWSJ-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C2C1CC(CC2)C1CCC2C(C1)C(=O)OC2=O
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.11g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.314g/mol
Monoisotopic Mass:
306.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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