200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 922190-44-1
922190-44-1 | 1H-Isoindole-1,3(2H)-dione, 2-[3-(2-methoxyphenyl)-2-propyn-1-yl]-
CAS No: 922190-44-1 Catalog No: AG006F1B MDL No:
Product Description
Catalog Number:
AG006F1B
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[3-(2-methoxyphenyl)-2-propyn-1-yl]-
CAS Number:
922190-44-1
Molecular Formula:
C18H13NO3
Molecular Weight:
291.3007
IUPAC Name:
2-[3-(2-methoxyphenyl)prop-2-ynyl]isoindole-1,3-dione
InChI:
InChI=1S/C18H13NO3/c1-22-16-11-5-2-7-13(16)8-6-12-19-17(20)14-9-3-4-10-15(14)18(19)21/h2-5,7,9-11H,12H2,1H3
InChI Key:
WAFGOMFNOBRGIV-UHFFFAOYSA-N
SMILES:
COc1ccccc1C#CCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.09g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.306g/mol
Monoisotopic Mass:
291.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.