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Home > Indoles and Oxindole > 3593-38-2
3593-38-2 | 2-cyclohexyl-3-hydroxy-3-phenyl-2,3-dihydro-1h-isoindol-1-one
CAS No: 3593-38-2 Catalog No: AG007D9A MDL No:
Product Description
Catalog Number:
AG007D9A
Chemical Name:
2-cyclohexyl-3-hydroxy-3-phenyl-2,3-dihydro-1h-isoindol-1-one
CAS Number:
3593-38-2
Molecular Formula:
C20H21NO2
Molecular Weight:
307.3862
IUPAC Name:
2-cyclohexyl-3-hydroxy-3-phenylisoindol-1-one
InChI:
InChI=1S/C20H21NO2/c22-19-17-13-7-8-14-18(17)20(23,15-9-3-1-4-10-15)21(19)16-11-5-2-6-12-16/h1,3-4,7-10,13-14,16,23H,2,5-6,11-12H2
InChI Key:
YLOZGFWUZMAYIY-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(N1C1CCCCC1)(O)c1ccccc1
NSC Number:
56401
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.157g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.393g/mol
Monoisotopic Mass:
307.157g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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