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119802-72-1 | 7H-Furo[3,2-g][1]benzopyran-7-one, 9-(3-aminopropoxy)-
CAS No: 119802-72-1 Catalog No: AG000POD MDL No:
Product Description
Catalog Number:
AG000POD
Chemical Name:
7H-Furo[3,2-g][1]benzopyran-7-one, 9-(3-aminopropoxy)-
CAS Number:
119802-72-1
Molecular Formula:
C14H13NO4
Molecular Weight:
259.2573
IUPAC Name:
9-(3-aminopropoxy)furo[3,2-g]chromen-7-one
InChI:
InChI=1S/C14H13NO4/c15-5-1-6-17-14-12-10(4-7-18-12)8-9-2-3-11(16)19-13(9)14/h2-4,7-8H,1,5-6,15H2
InChI Key:
ZTTJBZXILLQBLD-UHFFFAOYSA-N
SMILES:
NCCCOc1c2occc2cc2c1oc(=O)cc2
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.261g/mol
Monoisotopic Mass:
259.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| A QSAR model for in silico screening of MAO-A inhibitors. Prediction, synthesis, and biological assay of novel coumarins. | Journal of medicinal chemistry 20060209 |
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