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1785-98-4 | 1H-Indene-1,3(2H)-dione, 2-(3-oxo-1-phenylbutyl)-
CAS No: 1785-98-4 Catalog No: AG002640 MDL No:
Product Description
Catalog Number:
AG002640
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-(3-oxo-1-phenylbutyl)-
CAS Number:
1785-98-4
Molecular Formula:
C19H16O3
Molecular Weight:
292.3285
IUPAC Name:
2-(3-oxo-1-phenylbutyl)indene-1,3-dione
InChI:
InChI=1S/C19H16O3/c1-12(20)11-16(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-15(14)19(17)22/h2-10,16-17H,11H2,1H3
InChI Key:
KJULKZCUOFDKHU-UHFFFAOYSA-N
SMILES:
CC(=O)CC(C1C(=O)c2c(C1=O)cccc2)c1ccccc1
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.11g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.334g/mol
Monoisotopic Mass:
292.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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