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Home > Indoles and Oxindole > 13668-52-5
13668-52-5 | 2H-Indol-2-one, 1,3-dihydro-3-(2-oxopropylidene)-, (3E)-
CAS No: 13668-52-5 Catalog No: AG00127I MDL No:
Product Description
Catalog Number:
AG00127I
Chemical Name:
2H-Indol-2-one, 1,3-dihydro-3-(2-oxopropylidene)-, (3E)-
CAS Number:
13668-52-5
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
IUPAC Name:
3-(2-oxopropylidene)-1H-indol-2-one
InChI:
InChI=1S/C11H9NO2/c1-7(13)6-9-8-4-2-3-5-10(8)12-11(9)14/h2-6H,1H3,(H,12,14)
InChI Key:
AQPYUQKKKCLZAT-UHFFFAOYSA-N
SMILES:
CC(=O)/C=C\1/C(=O)Nc2c1cccc2
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.7
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