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contax

contax

CAS: 115-33-3

Formula: C24H19NO5

SMILES: CC(=O)OC1=CC=C(C=C1)C1(C(=O)NC2=C1C=CC=C2)C1=CC=C(OC(C)=O)C=C1

IUPAC: 4-{3-[4-(acetyloxy)phenyl]-2-oxo-2,3-dihydro-1H-indol-3-yl}phenyl acetate

InChI: InChI=1S/C24H19NO5/c1-15(26)29-19-11-7-17(8-12-19)24(18-9-13-20(14-10-18)30-16(2)27)21-5-3-4-6-22(21)25-23(24)28/h3-14H,1-2H3,(H,25,28)

Composition: C (71.81%), H (4.77%), N (3.49%), O (19.93%)

Molar Mass: 401.418

Atom Count: 49

Heavy Atom Count: 30

Properties
Properties
Common Names oxyphenisatin acetate
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 401.126322716
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey PHPUXYRXPHEJDF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 111.99
Topological Polar Surface Area 81.7
Polarizability 42.51
Ring Count 4
Rotatable Bond Count 6

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