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Home > Indoles and Oxindole > 917511-33-2
917511-33-2 | 1H-Isoindole-1,3(2H)-dione, 5-ethynyl-2-(4-ethynylphenyl)-
CAS No: 917511-33-2 Catalog No: AG006DQB MDL No:
Product Description
Catalog Number:
AG006DQB
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 5-ethynyl-2-(4-ethynylphenyl)-
CAS Number:
917511-33-2
Molecular Formula:
C18H9NO2
Molecular Weight:
271.2696
IUPAC Name:
5-ethynyl-2-(4-ethynylphenyl)isoindole-1,3-dione
InChI:
InChI=1S/C18H9NO2/c1-3-12-5-8-14(9-6-12)19-17(20)15-10-7-13(4-2)11-16(15)18(19)21/h1-2,5-11H
InChI Key:
AGKBVOMBNWNONU-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)C#C
Properties
Complexity:
552
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.063g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.275g/mol
Monoisotopic Mass:
271.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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