1,3-dimethyl 2-oxo-4,5-diphenylcyclopenta-1(5),3-diene-1,3-dicarboxylate

1,3-dimethyl 2-oxo-4,5-diphenylcyclopenta-1(5),3-diene-1,3-dicarboxylate

CAS: 16691-79-5

Formula: C21H16O5

SMILES: COC(=O)C1=C(C(=C(C(=O)OC)C1=O)C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: 1,3-dimethyl 2-oxo-4,5-diphenylcyclopenta-1(5),3-diene-1,3-dicarboxylate

InChI: InChI=1S/C21H16O5/c1-25-20(23)17-15(13-9-5-3-6-10-13)16(14-11-7-4-8-12-14)18(19(17)22)21(24)26-2/h3-12H,1-2H3

Composition: C (72.41%), H (4.63%), O (22.96%)

Molar Mass: 348.354

Atom Count: 42

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	348.099773615
Formal Charge	0
FSP3	0.1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	NTXFYWYVVGMAGT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.27
Topological Polar Surface Area	69.67
Polarizability	36.87
Ring Count	3
Rotatable Bond Count	6

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