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Home > Indoles and Oxindole > 23967-95-5
23967-95-5 | 1H-Isoindol-1-one, 2-ethyl-2,3-dihydro-
CAS No: 23967-95-5 Catalog No: AG006XOK MDL No:
Product Description
Catalog Number:
AG006XOK
Chemical Name:
1H-Isoindol-1-one, 2-ethyl-2,3-dihydro-
CAS Number:
23967-95-5
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
IUPAC Name:
2-ethyl-3H-isoindol-1-one
InChI:
InChI=1S/C10H11NO/c1-2-11-7-8-5-3-4-6-9(8)10(11)12/h3-6H,2,7H2,1H3
InChI Key:
KRIFUVLQYVRIKI-UHFFFAOYSA-N
SMILES:
CCN1Cc2c(C1=O)cccc2
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:
1.4
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