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1785-94-0 | 1H-Indene-1,3(2H)-dione, 2-(3-oxo-1,3-diphenylpropyl)-
CAS No: 1785-94-0 Catalog No: AG002642 MDL No:
Product Description
Catalog Number:
AG002642
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-(3-oxo-1,3-diphenylpropyl)-
CAS Number:
1785-94-0
Molecular Formula:
C24H18O3
Molecular Weight:
354.3979
IUPAC Name:
2-(3-oxo-1,3-diphenylpropyl)indene-1,3-dione
InChI:
InChI=1S/C24H18O3/c25-21(17-11-5-2-6-12-17)15-20(16-9-3-1-4-10-16)22-23(26)18-13-7-8-14-19(18)24(22)27/h1-14,20,22H,15H2
InChI Key:
WNIBTFFJLQCXLM-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC(C1C(=O)c2c(C1=O)cccc2)c1ccccc1
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.126g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.405g/mol
Monoisotopic Mass:
354.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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