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73003-90-4 | 6-(2,5-Dioxotetrahydrofuran-3-yl);-4-methyl-7,7a-dihydroisobenzofuran-1,3(3aH,6H);-dione
CAS No: 73003-90-4 Catalog No: AG003MZ6 MDL No:MFCD00039141
Product Description
Catalog Number:
AG003MZ6
Chemical Name:
6-(2,5-Dioxotetrahydrofuran-3-yl);-4-methyl-7,7a-dihydroisobenzofuran-1,3(3aH,6H);-dione
CAS Number:
73003-90-4
Molecular Formula:
C13H12O6
Molecular Weight:
264.2308
MDL Number:
MFCD00039141
IUPAC Name:
5-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione
InChI:
InChI=1S/C13H12O6/c1-5-2-6(7-4-9(14)18-11(7)15)3-8-10(5)13(17)19-12(8)16/h2,6-8,10H,3-4H2,1H3
InChI Key:
DGQOZCNCJKEVOA-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C(C1)C1C=C(C)C2C(C1)C(=O)OC2=O
EC Number:
277-212-7
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.063g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.233g/mol
Monoisotopic Mass:
264.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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