Home Other Building Blocks 4-ethynyl-2,3-dihydro-1H-isoindole-1,3-dione

4-ethynyl-2,3-dihydro-1H-isoindole-1,3-dione

CAS No.:
1909309-81-4
Catalog Number:
AG01C549
Molecular Formula:
C10H5NO2
Molecular Weight:
171.1522
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Product Description
Catalog Number:
AG01C549
Chemical Name:
4-ethynyl-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
1909309-81-4
Molecular Formula:
C10H5NO2
Molecular Weight:
171.1522
MDL Number:
MFCD29763294
IUPAC Name:
4-ethynylisoindole-1,3-dione
InChI:
InChI=1S/C10H5NO2/c1-2-6-4-3-5-7-8(6)10(13)11-9(7)12/h1,3-5H,(H,11,12,13)
InChI Key:
SFOPWTGIYVGTRL-UHFFFAOYSA-N
SMILES:
C#Cc1cccc2c1C(=O)NC2=O
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.032g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.155g/mol
Monoisotopic Mass:
171.032g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties