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192331-05-8 | 1,3-Isobenzofurandione, 5-(4-methylbenzoyl)-
CAS No: 192331-05-8 Catalog No: AG002FUH MDL No:
Product Description
Catalog Number:
AG002FUH
Chemical Name:
1,3-Isobenzofurandione, 5-(4-methylbenzoyl)-
CAS Number:
192331-05-8
Molecular Formula:
C16H10O4
Molecular Weight:
266.2482
IUPAC Name:
5-(4-methylbenzoyl)-2-benzofuran-1,3-dione
InChI:
InChI=1S/C16H10O4/c1-9-2-4-10(5-3-9)14(17)11-6-7-12-13(8-11)16(19)20-15(12)18/h2-8H,1H3
InChI Key:
QCKAGXDVHJOTOI-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)c1ccc2c(c1)C(=O)OC2=O
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.058g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.252g/mol
Monoisotopic Mass:
266.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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