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Home > Indoles and Oxindole > 89174-98-1
89174-98-1 | Pyrrolo[3,4-b]indol-3(2H)-one, 1,4-dihydro-2-hydroxy-1-phenyl-
CAS No: 89174-98-1 Catalog No: AG003WAB MDL No:
Product Description
Catalog Number:
AG003WAB
Chemical Name:
Pyrrolo[3,4-b]indol-3(2H)-one, 1,4-dihydro-2-hydroxy-1-phenyl-
CAS Number:
89174-98-1
Molecular Formula:
C16H12N2O2
Molecular Weight:
264.2787
IUPAC Name:
2-hydroxy-1-phenyl-1,4-dihydropyrrolo[3,4-b]indol-3-one
InChI:
InChI=1S/C16H12N2O2/c19-16-14-13(11-8-4-5-9-12(11)17-14)15(18(16)20)10-6-2-1-3-7-10/h1-9,15,17,20H
InChI Key:
MYFPWZOGFLAIFQ-UHFFFAOYSA-N
SMILES:
ON1C(=O)c2c(C1c1ccccc1)c1c([nH]2)cccc1
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.284g/mol
Monoisotopic Mass:
264.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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