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Home > Indoles and Oxindole > 118860-71-2
118860-71-2 | 3H-Indol-3-one, 1,2-dihydro-2-(2-pyridinylmethylene)-
CAS No: 118860-71-2 Catalog No: AG00759B MDL No:
Product Description
Catalog Number:
AG00759B
Chemical Name:
3H-Indol-3-one, 1,2-dihydro-2-(2-pyridinylmethylene)-
CAS Number:
118860-71-2
Molecular Formula:
C14H10N2O
Molecular Weight:
222.2420
IUPAC Name:
2-(pyridin-2-ylmethylidene)-1H-indol-3-one
InChI:
InChI=1S/C14H10N2O/c17-14-11-6-1-2-7-12(11)16-13(14)9-10-5-3-4-8-15-10/h1-9,16H
InChI Key:
DVQWDDXGGIRHSE-UHFFFAOYSA-N
SMILES:
O=C1C(=Cc2ccccn2)Nc2c1cccc2
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.247g/mol
Monoisotopic Mass:
222.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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