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808761-84-4 | 2H-1-Benzopyran-2-one, 7-[[4-(1-pyrrolidinyl)-2-butynyl]oxy]-
CAS No: 808761-84-4 Catalog No: AG005IAW MDL No:
Product Description
Catalog Number:
AG005IAW
Chemical Name:
2H-1-Benzopyran-2-one, 7-[[4-(1-pyrrolidinyl)-2-butynyl]oxy]-
CAS Number:
808761-84-4
Molecular Formula:
C17H17NO3
Molecular Weight:
283.3218
IUPAC Name:
7-(4-pyrrolidin-1-ylbut-2-ynoxy)chromen-2-one
InChI:
InChI=1S/C17H17NO3/c19-17-8-6-14-5-7-15(13-16(14)21-17)20-12-4-3-11-18-9-1-2-10-18/h5-8,13H,1-2,9-12H2
InChI Key:
STZQYMXOEXDVIY-UHFFFAOYSA-N
SMILES:
O=c1ccc2c(o1)cc(cc2)OCC#CCN1CCCC1
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.327g/mol
Monoisotopic Mass:
283.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Inhibitory effect of umbelliferone aminoalkyl derivatives on oxidosqualene cyclases from S. cerevisiae, T. cruzi, P. carinii, H. sapiens, and A. thaliana: a structure-activity study. | ChemMedChem 20070201 |
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