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Home > Indoles and Oxindole > 332172-76-6
332172-76-6 | 1-(2-Phenoxyethyl)-1H-indole-2,3-dione
CAS No: 332172-76-6 Catalog No: AG00I6H2 MDL No:MFCD02045615
Product Description
Catalog Number:
AG00I6H2
Chemical Name:
1-(2-Phenoxyethyl)-1H-indole-2,3-dione
CAS Number:
332172-76-6
Molecular Formula:
C16H13NO3
Molecular Weight:
267.2793
MDL Number:
MFCD02045615
IUPAC Name:
1-(2-phenoxyethyl)indole-2,3-dione
InChI:
InChI=1S/C16H13NO3/c18-15-13-8-4-5-9-14(13)17(16(15)19)10-11-20-12-6-2-1-3-7-12/h1-9H,10-11H2
InChI Key:
QFNITOWNTPEKBC-UHFFFAOYSA-N
SMILES:
O=C1C(=O)c2c(N1CCOc1ccccc1)cccc2
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.284g/mol
Monoisotopic Mass:
267.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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