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Home > Indoles and Oxindole > 41042-17-5
41042-17-5 | 1-(2-phenylethyl)-1H-indole-2,3-dione
CAS No: 41042-17-5 Catalog No: AG00J7WO MDL No:MFCD00224229
Product Description
Catalog Number:
AG00J7WO
Chemical Name:
1-(2-phenylethyl)-1H-indole-2,3-dione
CAS Number:
41042-17-5
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
MDL Number:
MFCD00224229
IUPAC Name:
1-(2-phenylethyl)indole-2,3-dione
InChI:
InChI=1S/C16H13NO2/c18-15-13-8-4-5-9-14(13)17(16(15)19)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChI Key:
XICVNIWRISOITG-UHFFFAOYSA-N
SMILES:
O=C1C(=O)c2c(N1CCc1ccccc1)cccc2
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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