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4415-87-6 | Cyclobuta[1,2-c:3,4-c']difuran-1,3,4,6(3aH,3bH,6aH,6bH);-tetraone
CAS No: 4415-87-6 Catalog No: AG003P3Q MDL No:MFCD00004944
Product Description
Catalog Number:
AG003P3Q
Chemical Name:
Cyclobuta[1,2-c:3,4-c']difuran-1,3,4,6(3aH,3bH,6aH,6bH);-tetraone
CAS Number:
4415-87-6
Molecular Formula:
C8H4O6
Molecular Weight:
196.1138
MDL Number:
MFCD00004944
IUPAC Name:
4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone
InChI:
InChI=1S/C8H4O6/c9-5-1-2(6(10)13-5)4-3(1)7(11)14-8(4)12/h1-4H
InChI Key:
YGYCECQIOXZODZ-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C2C1C1C2C(=O)OC1=O
EC Number:
224-577-5
NSC Number:
131455
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.001g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.114g/mol
Monoisotopic Mass:
196.001g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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