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Home > Indoles and Oxindole > 125709-38-8
125709-38-8 | Pyrido[2,1-a]isoindol-6(2H)-one, 3,4-dihydro-3-hydroxy-3-phenyl-
CAS No: 125709-38-8 Catalog No: AG000OIW MDL No:
Product Description
Catalog Number:
AG000OIW
Chemical Name:
Pyrido[2,1-a]isoindol-6(2H)-one, 3,4-dihydro-3-hydroxy-3-phenyl-
CAS Number:
125709-38-8
Molecular Formula:
C18H15NO2
Molecular Weight:
277.3172
IUPAC Name:
3-hydroxy-3-phenyl-2,4-dihydropyrido[1,2-b]isoindol-6-one
InChI:
InChI=1S/C18H15NO2/c20-17-15-9-5-4-8-14(15)16-10-11-18(21,12-19(16)17)13-6-2-1-3-7-13/h1-10,21H,11-12H2
InChI Key:
KQRSGYPRJFFWII-UHFFFAOYSA-N
SMILES:
O=C1N2CC(O)(CC=C2c2c1cccc2)c1ccccc1
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.11g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.323g/mol
Monoisotopic Mass:
277.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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