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Home > Indoles and Oxindole > 3532-72-7
3532-72-7 | 1H-Isoindol-1-one,2,3-dihydro-3-hydroxy-2-(3-methylphenyl)-3-phenyl-
CAS No: 3532-72-7 Catalog No: AG007DPA MDL No:
Product Description
Catalog Number:
AG007DPA
Chemical Name:
1H-Isoindol-1-one,2,3-dihydro-3-hydroxy-2-(3-methylphenyl)-3-phenyl-
CAS Number:
3532-72-7
Molecular Formula:
C21H17NO2
Molecular Weight:
315.3652
IUPAC Name:
3-hydroxy-2-(3-methylphenyl)-3-phenylisoindol-1-one
InChI:
InChI=1S/C21H17NO2/c1-15-8-7-11-17(14-15)22-20(23)18-12-5-6-13-19(18)21(22,24)16-9-3-2-4-10-16/h2-14,24H,1H3
InChI Key:
XVQCPZPTOSYJBP-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)N1C(=O)c2c(C1(O)c1ccccc1)cccc2
NSC Number:
67327
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.126g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.372g/mol
Monoisotopic Mass:
315.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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