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Home > Indoles and Oxindole > 66948-20-7
66948-20-7 | 2H-Indol-2-one,1,3-dihydro-3-hydroxy-3-(1-isoquinolinylmethyl)-1-methyl-
CAS No: 66948-20-7 Catalog No: AG006NDT MDL No:
Product Description
Catalog Number:
AG006NDT
Chemical Name:
2H-Indol-2-one,1,3-dihydro-3-hydroxy-3-(1-isoquinolinylmethyl)-1-methyl-
CAS Number:
66948-20-7
Molecular Formula:
C19H16N2O2
Molecular Weight:
304.3425
IUPAC Name:
3-hydroxy-3-(isoquinolin-1-ylmethyl)-1-methylindol-2-one
InChI:
InChI=1S/C19H16N2O2/c1-21-17-9-5-4-8-15(17)19(23,18(21)22)12-16-14-7-3-2-6-13(14)10-11-20-16/h2-11,23H,12H2,1H3
InChI Key:
XXBVFWZJBFBOLV-UHFFFAOYSA-N
SMILES:
CN1c2ccccc2C(C1=O)(O)Cc1nccc2c1cccc2
NSC Number:
278007
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.121g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.349g/mol
Monoisotopic Mass:
304.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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