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2-(4-methylphenyl)-2H-indene-1,3-dione

2-(4-methylphenyl)-2H-indene-1,3-dione

CAS: 7561-48-0

Formula: C16H12O2

SMILES: CC1=CC=C(C=C1)C1C(=O)C2=CC=CC=C2C1=O

IUPAC: 2-(4-methylphenyl)-2,3-dihydro-1H-indene-1,3-dione

InChI: InChI=1S/C16H12O2/c1-10-6-8-11(9-7-10)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3

Composition: C (81.34%), H (5.12%), O (13.54%)

Molar Mass: 236.27

Atom Count: 30

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 236.083729626
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey UZRVEOMTWFQDCD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.27
Topological Polar Surface Area 34.14
Polarizability 26.59
Ring Count 3
Rotatable Bond Count 1

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