200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 14396-89-5
14396-89-5 | 1H-Isoindole-1,3(2H)-dione, 2-(1-methyl-2-propyn-1-yl)-
CAS No: 14396-89-5 Catalog No: AG001INW MDL No:MFCD08703146
Product Description
Catalog Number:
AG001INW
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(1-methyl-2-propyn-1-yl)-
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.