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24822-11-5 | 1H-Indene-1,3(2H)-dione, 2-(3-oxo-1-phenylheptyl)-
CAS No: 24822-11-5 Catalog No: AG002PKF MDL No:
Product Description
Catalog Number:
AG002PKF
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-(3-oxo-1-phenylheptyl)-
CAS Number:
24822-11-5
Molecular Formula:
C22H22O3
Molecular Weight:
334.4083
IUPAC Name:
2-(3-oxo-1-phenylheptyl)indene-1,3-dione
InChI:
InChI=1S/C22H22O3/c1-2-3-11-16(23)14-19(15-9-5-4-6-10-15)20-21(24)17-12-7-8-13-18(17)22(20)25/h4-10,12-13,19-20H,2-3,11,14H2,1H3
InChI Key:
FCCAJUFXTUMHSB-UHFFFAOYSA-N
SMILES:
CCCCC(=O)CC(C1C(=O)c2c(C1=O)cccc2)c1ccccc1
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.157g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.415g/mol
Monoisotopic Mass:
334.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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