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124511-82-6 | 1,3-Isobenzofurandione, 4,7-bis(acetyloxy)-
CAS No: 124511-82-6 Catalog No: AG000M4U MDL No:
Product Description
Catalog Number:
AG000M4U
Chemical Name:
1,3-Isobenzofurandione, 4,7-bis(acetyloxy)-
CAS Number:
124511-82-6
Molecular Formula:
C12H8O7
Molecular Weight:
264.1877
IUPAC Name:
(7-acetyloxy-1,3-dioxo-2-benzofuran-4-yl) acetate
InChI:
InChI=1S/C12H8O7/c1-5(13)17-7-3-4-8(18-6(2)14)10-9(7)11(15)19-12(10)16/h3-4H,1-2H3
InChI Key:
PSSBVORCFWWHFQ-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(c2c1C(=O)OC2=O)OC(=O)C
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.027g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.189g/mol
Monoisotopic Mass:
264.027g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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