200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 89017-51-6
89017-51-6 | 2,5-Pyrrolidinedione, 1-(1-methyl-3-pentynyl)-
CAS No: 89017-51-6 Catalog No: AG0042SR MDL No:
Product Description
Catalog Number:
AG0042SR
Chemical Name:
2,5-Pyrrolidinedione, 1-(1-methyl-3-pentynyl)-
CAS Number:
89017-51-6
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
IUPAC Name:
1-hex-4-yn-2-ylpyrrolidine-2,5-dione
InChI:
InChI=1S/C10H13NO2/c1-3-4-5-8(2)11-9(12)6-7-10(11)13/h8H,5-7H2,1-2H3
InChI Key:
GKDXYKCBUDJTNE-UHFFFAOYSA-N
SMILES:
CC(N1C(=O)CCC1=O)CC#CC
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.