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Home > Indoles and Oxindole > 84258-49-1
84258-49-1 | 2H-Indol-2-one, 1-ethyl-1,3-dihydro-3-methyl-
CAS No: 84258-49-1 Catalog No: AG0056QI MDL No:
Product Description
Catalog Number:
AG0056QI
Chemical Name:
2H-Indol-2-one, 1-ethyl-1,3-dihydro-3-methyl-
CAS Number:
84258-49-1
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
IUPAC Name:
1-ethyl-3-methyl-3H-indol-2-one
InChI:
InChI=1S/C11H13NO/c1-3-12-10-7-5-4-6-9(10)8(2)11(12)13/h4-8H,3H2,1-2H3
InChI Key:
OWBPJGNTBSTIAE-UHFFFAOYSA-N
SMILES:
CCN1c2ccccc2C(C1=O)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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