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Home > Indoles and Oxindole > 13177-23-6
13177-23-6 | 3H-Indole, 3-hydroperoxy-2,3-dimethyl-
CAS No: 13177-23-6 Catalog No: AG000ZPU MDL No:
Product Description
Catalog Number:
AG000ZPU
Chemical Name:
3H-Indole, 3-hydroperoxy-2,3-dimethyl-
CAS Number:
13177-23-6
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
IUPAC Name:
3-hydroperoxy-2,3-dimethylindole
InChI:
InChI=1S/C10H11NO2/c1-7-10(2,13-12)8-5-3-4-6-9(8)11-7/h3-6,12H,1-2H3
InChI Key:
XPWGZKNPCIEWBW-UHFFFAOYSA-N
SMILES:
OOC1(C)C(=Nc2c1cccc2)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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