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Home Other Building Blocks 2-(But-3-yn-2-yl)isoindoline-1,3-dione

2-(But-3-yn-2-yl)isoindoline-1,3-dione

CAS No.:
14396-89-5
Catalog Number:
AG001INW
Molecular Formula:
C12H9NO2
Molecular Weight:
199.2054
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$100
- +
1g
98%
In Stock USA
United States
$235
- +
5g
98%
In Stock USA
United States
$938
- +
Product Description
Catalog Number:
AG001INW
Chemical Name:
2-(But-3-yn-2-yl)isoindoline-1,3-dione
CAS Number:
14396-89-5
Molecular Formula:
C12H9NO2
Molecular Weight:
199.2054
MDL Number:
MFCD08703146
IUPAC Name:
2-but-3-yn-2-ylisoindole-1,3-dione
InChI:
InChI=1S/C12H9NO2/c1-3-8(2)13-11(14)9-6-4-5-7-10(9)12(13)15/h1,4-8H,2H3
InChI Key:
SOGVFRFVTCHCLD-UHFFFAOYSA-N
SMILES:
CC(N1C(=O)c2c(C1=O)cccc2)C#C
Properties
Complexity:
328  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties