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Home > Indoles and Oxindole > 893739-22-5
893739-22-5 | 5-[4-(Benzyloxy)phenyl]-1H-indole-2,3-dione
CAS No: 893739-22-5 Catalog No: AG01EYQT MDL No:
Product Description
Catalog Number:
AG01EYQT
Chemical Name:
5-[4-(Benzyloxy)phenyl]-1H-indole-2,3-dione
CAS Number:
893739-22-5
Molecular Formula:
C21H15NO3
Molecular Weight:
329.3487
IUPAC Name:
5-(4-phenylmethoxyphenyl)-1H-indole-2,3-dione
InChI:
InChI=1S/C21H15NO3/c23-20-18-12-16(8-11-19(18)22-21(20)24)15-6-9-17(10-7-15)25-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,22,23,24)
InChI Key:
IODHVLXQDPZRSA-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1=O)cc(cc2)c1ccc(cc1)OCc1ccccc1
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.105g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.355g/mol
Monoisotopic Mass:
329.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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