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Home > Indoles and Oxindole > 53204-33-4
53204-33-4 | 3,3-diethyl-2,3-dihydro-1H-indol-2-one
CAS No: 53204-33-4 Catalog No: AG01AIY8 MDL No:MFCD13192265
Product Description
Catalog Number:
AG01AIY8
Chemical Name:
3,3-diethyl-2,3-dihydro-1H-indol-2-one
CAS Number:
53204-33-4
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
MDL Number:
MFCD13192265
IUPAC Name:
3,3-diethyl-1H-indol-2-one
InChI:
InChI=1S/C12H15NO/c1-3-12(4-2)9-7-5-6-8-10(9)13-11(12)14/h5-8H,3-4H2,1-2H3,(H,13,14)
InChI Key:
JOAHCWIICCHHOU-UHFFFAOYSA-N
SMILES:
CCC1(CC)C(=O)Nc2c1cccc2
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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