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Home > Indoles and Oxindole > 113439-83-1
113439-83-1 | 1H-Isoindole-1,3(2H)-dione, 2-(2-butyn-1-yl)-
CAS No: 113439-83-1 Catalog No: AG0008LF MDL No:
Product Description
Catalog Number:
AG0008LF
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(2-butyn-1-yl)-
CAS Number:
113439-83-1
Molecular Formula:
C12H9NO2
Molecular Weight:
199.2054
IUPAC Name:
2-but-2-ynylisoindole-1,3-dione
InChI:
InChI=1S/C12H9NO2/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h4-7H,8H2,1H3
InChI Key:
COPWPECHFWIYSP-UHFFFAOYSA-N
SMILES:
CC#CCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.063g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.209g/mol
Monoisotopic Mass:
199.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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