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Home > Indoles and Oxindole > 13754-86-4
13754-86-4 | 4H-Indol-4-one, 1,5,6,7-tetrahydro-
CAS No: 13754-86-4 Catalog No: AG0013JA MDL No:MFCD00075438
Product Description
Catalog Number:
AG0013JA
Chemical Name:
4H-Indol-4-one, 1,5,6,7-tetrahydro-
CAS Number:
13754-86-4
Molecular Formula:
C8H9NO
Molecular Weight:
135.1632
MDL Number:
MFCD00075438
IUPAC Name:
1,5,6,7-tetrahydroindol-4-one
InChI:
InChI=1S/C8H9NO/c10-8-3-1-2-7-6(8)4-5-9-7/h4-5,9H,1-3H2
InChI Key:
KASJZXHXXNEULX-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1cc[nH]2
NSC Number:
131681
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.068g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
135.166g/mol
Monoisotopic Mass:
135.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Combined 3D-QSAR modeling and molecular docking studies on pyrrole-indolin-2-ones as Aurora A kinase inhibitors. | International journal of molecular sciences 20110101 |
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