200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 84920-14-9
84920-14-9 | 2,4-Pentanedione, 3-[[2-(acetyloxy)-1-methyl-3-indolizinyl]methylene]-
CAS No: 84920-14-9 Catalog No: AG004LXR MDL No:
Product Description
Catalog Number:
AG004LXR
Chemical Name:
2,4-Pentanedione, 3-[[2-(acetyloxy)-1-methyl-3-indolizinyl]methylene]-
CAS Number:
84920-14-9
Molecular Formula:
C17H17NO4
Molecular Weight:
299.3212
IUPAC Name:
[3-(2-acetyl-3-oxobut-1-enyl)-1-methylindolizin-2-yl] acetate
InChI:
InChI=1S/C17H17NO4/c1-10-15-7-5-6-8-18(15)16(17(10)22-13(4)21)9-14(11(2)19)12(3)20/h5-9H,1-4H3
InChI Key:
PBRRTQOROYPVLG-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1c(C)c2n(c1C=C(C(=O)C)C(=O)C)cccc2
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.326g/mol
Monoisotopic Mass:
299.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.