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Home > Indoles and Oxindole > 922190-47-4
922190-47-4 | 1H-Isoindole-1,3(2H)-dione, 2-[3-(1-naphthalenyl)-2-propyn-1-yl]-
CAS No: 922190-47-4 Catalog No: AG006F1A MDL No:
Product Description
Catalog Number:
AG006F1A
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[3-(1-naphthalenyl)-2-propyn-1-yl]-
CAS Number:
922190-47-4
Molecular Formula:
C21H13NO2
Molecular Weight:
311.3334
IUPAC Name:
2-(3-naphthalen-1-ylprop-2-ynyl)isoindole-1,3-dione
InChI:
InChI=1S/C21H13NO2/c23-20-18-12-3-4-13-19(18)21(24)22(20)14-6-10-16-9-5-8-15-7-1-2-11-17(15)16/h1-5,7-9,11-13H,14H2
InChI Key:
SEFZQYBOKPVWNA-UHFFFAOYSA-N
SMILES:
O=C1N(CC#Cc2cccc3c2cccc3)C(=O)c2c1cccc2
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.095g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.34g/mol
Monoisotopic Mass:
311.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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