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1732-97-4 | 5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, 5,5'-[2-(acetyloxy)-1,3-propanediyl] ester
CAS No: 1732-97-4 Catalog No: AG001YP5 MDL No:
Product Description
Catalog Number:
AG001YP5
Chemical Name:
5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, 5,5'-[2-(acetyloxy)-1,3-propanediyl] ester
CAS Number:
1732-97-4
Molecular Formula:
C23H14O12
Molecular Weight:
482.3501
IUPAC Name:
[2-acetyloxy-3-(1,3-dioxo-2-benzofuran-5-carbonyl)oxypropyl] 1,3-dioxo-2-benzofuran-5-carboxylate
InChI:
InChI=1S/C23H14O12/c1-10(24)33-13(8-31-18(25)11-2-4-14-16(6-11)22(29)34-20(14)27)9-32-19(26)12-3-5-15-17(7-12)23(30)35-21(15)28/h2-7,13H,8-9H2,1H3
InChI Key:
OQOUNJQHPJEYQP-UHFFFAOYSA-N
SMILES:
CC(=O)OC(COC(=O)c1ccc2c(c1)C(=O)OC2=O)COC(=O)c1ccc2c(c1)C(=O)OC2=O
EC Number:
217-063-7
Properties
Complexity:
886
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
482.049g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
482.353g/mol
Monoisotopic Mass:
482.049g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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