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39608-24-7

39608-24-7 | 3-methyl-2-phenyl-3h-indol-3-yl hydroperoxide

CAS No: 39608-24-7 Catalog No: AG007877 MDL No:

Product Description

Catalog Number:
AG007877
Chemical Name:
3-methyl-2-phenyl-3h-indol-3-yl hydroperoxide
CAS Number:
39608-24-7
Molecular Formula:
C15H13NO2
Molecular Weight:
239.2692
IUPAC Name:
3-hydroperoxy-3-methyl-2-phenylindole
InChI:
InChI=1S/C15H13NO2/c1-15(18-17)12-9-5-6-10-13(12)16-14(15)11-7-3-2-4-8-11/h2-10,17H,1H3
InChI Key:
JIDQYPYCJTXPKO-UHFFFAOYSA-N
SMILES:
OOC1(C)C(=Nc2c1cccc2)c1ccccc1

Properties

Complexity:
335  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.095g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
239.274g/mol
Monoisotopic Mass:
239.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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