CAS: 5426-09-5
Name: 4,10-dioxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILES:
C1=CC2C3C(C1O2)C(=O)OC3=OMolecular Processing
Molecular formula
C8H6O4
Molecular weight
166.13
Exact mass
166.0266
XLogP
-0.36
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
12
Rings
3
Aromatic rings
0
Saturated rings
2
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
35.88
Supplementary Information
InChIKey: QQYNRBAAQFZCLF-UHFFFAOYSA-N
Synonyme
5426-09-53a,4,7,7a-Tetrahydro-4,7-epoxyisobenzofuran-1,3-dione3,6-Epoxy-1,2,3,6-tetrahydrophthalic anhydride4,7-Epoxyisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-DTXSID408635357-Oxabicyclo(2.2.1)-5-heptene-2,3-dicarboxylic anhydride7-Oxabicyclo[2.2.1]-5-heptene-2,3-dicarboxylic AnhydrideETPA-exoRefChem:5469637-OHDDTXCID50812135226-570-24,10-dioxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione6766-44-54,10-Dioxatricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione7-Oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic anhydrideMFCD00077442CHEMBL273883NSC 14002NSC 619973a,4,7,7a-tetrahydro-4,7-epoxy-2-benzofuran-1,3-dione4,10-Dioxatri cyclo[5.2. 1.02.6]dec-8-ene-3,5-dione4,7-Epoxyisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-,(3aR,4R,7S,7aS)-rel-3,6-Endoxo-.delta.'-tetrahydrophthalic anhydride1,4-Epoxycyclohex-5-ene-2,3-dicarboxylic anhydride4,10-Dioxatricyclo[5.2.1.02.6]dec-8-ene-3,5-dione3,2,3,6-tetrahydrophthalic anhydride4,3-dione, 3a,4,7,7a-tetrahydro-4,10-dioxatricyclo[5.2.1.0<2,6>]dec-8-ene-3,5-dione7-Oxabicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic anhydride
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