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Home > Indoles and Oxindole > 25410-77-9
25410-77-9 | 3H-Indol-3-one, 2-(2-methoxyphenyl)-, 1-oxide
CAS No: 25410-77-9 Catalog No: AG007NAZ MDL No:
Product Description
Catalog Number:
AG007NAZ
Chemical Name:
3H-Indol-3-one, 2-(2-methoxyphenyl)-, 1-oxide
CAS Number:
25410-77-9
Molecular Formula:
C15H11NO3
Molecular Weight:
253.2527
IUPAC Name:
2-(2-methoxyphenyl)-1-oxidoindol-1-ium-3-one
InChI:
InChI=1S/C15H11NO3/c1-19-13-9-5-3-7-11(13)14-15(17)10-6-2-4-8-12(10)16(14)18/h2-9H,1H3
InChI Key:
BGXMGRGMCDJTTO-UHFFFAOYSA-N
SMILES:
COc1ccccc1C1=[N+]([O-])c2c(C1=O)cccc2
Properties
Complexity:
404
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:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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