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Home > Indoles and Oxindole > 64389-33-9
64389-33-9 | ethyl 2-(6'-cyano-5'-oxo-2',3'-dihydro-5'h-spiro[1,3-dioxolane-2,1'-indolizin]-7'-yl)butanoate
CAS No: 64389-33-9 Catalog No: AG00H7V3 MDL No:
Product Description
Catalog Number:
AG00H7V3
Chemical Name:
ethyl 2-(6'-cyano-5'-oxo-2',3'-dihydro-5'h-spiro[1,3-dioxolane-2,1'-indolizin]-7'-yl)butanoate
CAS Number:
64389-33-9
Molecular Formula:
C17H20N2O5
Molecular Weight:
332.3511
IUPAC Name:
ethyl 2-(6'-cyano-5'-oxospiro[1,3-dioxolane-2,1'-2,3-dihydroindolizine]-7'-yl)butanoate
InChI:
InChI=1S/C17H20N2O5/c1-3-11(16(21)22-4-2)12-9-14-17(23-7-8-24-17)5-6-19(14)15(20)13(12)10-18/h9,11H,3-8H2,1-2H3
InChI Key:
GTFGMFHOVANJCE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1cc2n(c(=O)c1C#N)CCC12OCCO1)CC
NSC Number:
629281
Properties
Complexity:
678
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.137g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.356g/mol
Monoisotopic Mass:
332.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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