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Home > Indoles and Oxindole > 61-28-9
61-28-9 | 1-ethyl-2,3-dihydro-1H-indol-2-one
CAS No: 61-28-9 Catalog No: AG00VTRG MDL No:MFCD00022913
Product Description
Catalog Number:
AG00VTRG
Chemical Name:
1-ethyl-2,3-dihydro-1H-indol-2-one
CAS Number:
61-28-9
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD00022913
IUPAC Name:
1-ethyl-3H-indol-2-one
InChI:
InChI=1S/C10H11NO/c1-2-11-9-6-4-3-5-8(9)7-10(11)12/h3-6H,2,7H2,1H3
InChI Key:
VSMXLKGFTKFOSB-UHFFFAOYSA-N
SMILES:
CCN1C(=O)Cc2c1cccc2
EC Number:
200-503-7
UNII:
MD53YTF87S
NSC Number:
8893
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Toward prediction of alkane/water partition coefficients. | Journal of medicinal chemistry 20080710 |
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