200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 1909309-81-4
1909309-81-4 | 4-ethynyl-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 1909309-81-4 Catalog No: AG01C549 MDL No:MFCD29763294
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.