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19225-29-7 | 5H-Indeno[5,6-d]-1,3-dioxole-5,7(6H)-dione, 6-phenyl-
CAS No: 19225-29-7 Catalog No: AG002FSW MDL No:
Product Description
Catalog Number:
AG002FSW
Chemical Name:
5H-Indeno[5,6-d]-1,3-dioxole-5,7(6H)-dione, 6-phenyl-
CAS Number:
19225-29-7
Molecular Formula:
C16H10O4
Molecular Weight:
266.2482
IUPAC Name:
6-phenylcyclopenta[f][1,3]benzodioxole-5,7-dione
InChI:
InChI=1S/C16H10O4/c17-15-10-6-12-13(20-8-19-12)7-11(10)16(18)14(15)9-4-2-1-3-5-9/h1-7,14H,8H2
InChI Key:
OUBOZNIAPDOIKB-UHFFFAOYSA-N
SMILES:
O=C1c2cc3OCOc3cc2C(=O)C1c1ccccc1
Properties
Complexity:
396
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:
1
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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