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Home > Indoles and Oxindole > 99448-75-6
99448-75-6 | 1H-Indole-2,3-dione, 5-methyl-1-(phenylmethyl)-
CAS No: 99448-75-6 Catalog No: AG0065GY MDL No:
Product Description
Catalog Number:
AG0065GY
Chemical Name:
1H-Indole-2,3-dione, 5-methyl-1-(phenylmethyl)-
CAS Number:
99448-75-6
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
IUPAC Name:
1-benzyl-5-methylindole-2,3-dione
InChI:
InChI=1S/C16H13NO2/c1-11-7-8-14-13(9-11)15(18)16(19)17(14)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChI Key:
VYYHRKXFEWQHDT-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)C(=O)C(=O)N2Cc1ccccc1
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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