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Home > Indoles and Oxindole > 83195-92-0
83195-92-0 | 2H-Indole-3,5-dione, 2-methyl-2-phenyl-, 1-oxide
CAS No: 83195-92-0 Catalog No: AG005980 MDL No:
Product Description
Catalog Number:
AG005980
Chemical Name:
2H-Indole-3,5-dione, 2-methyl-2-phenyl-, 1-oxide
CAS Number:
83195-92-0
Molecular Formula:
C15H11NO3
Molecular Weight:
253.2527
IUPAC Name:
2-methyl-1-oxido-2-phenylindol-1-ium-3,5-dione
InChI:
InChI=1S/C15H11NO3/c1-15(10-5-3-2-4-6-10)14(18)12-9-11(17)7-8-13(12)16(15)19/h2-9H,1H3
InChI Key:
RVUYRMWPTDGEIJ-UHFFFAOYSA-N
SMILES:
O=C1C=CC2=[N+](C(C(=O)C2=C1)(C)c1ccccc1)[O-]
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.257g/mol
Monoisotopic Mass:
253.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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