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16800-68-3 | 1-Acetylindolin-3-one
CAS No: 16800-68-3 Catalog No: AG0037ZH MDL No:MFCD00466593
Product Description
Catalog Number:
AG0037ZH
Chemical Name:
1-Acetylindolin-3-one
CAS Number:
16800-68-3
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD00466593
IUPAC Name:
1-acetyl-2H-indol-3-one
InChI:
InChI=1S/C10H9NO2/c1-7(12)11-6-10(13)8-4-2-3-5-9(8)11/h2-5H,6H2,1H3
InChI Key:
AUMJJQZNOVOCGY-UHFFFAOYSA-N
SMILES:
CC(=O)N1CC(=O)c2c1cccc2
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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