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17577-47-8 | 2H-1-Benzopyran-2-one, 3-(2-benzoxazolyl)-
CAS No: 17577-47-8 Catalog No: AG002170 MDL No:
Product Description
Catalog Number:
AG002170
Chemical Name:
2H-1-Benzopyran-2-one, 3-(2-benzoxazolyl)-
CAS Number:
17577-47-8
Molecular Formula:
C16H9NO3
Molecular Weight:
263.2476
IUPAC Name:
3-(1,3-benzoxazol-2-yl)chromen-2-one
InChI:
InChI=1S/C16H9NO3/c18-16-11(9-10-5-1-3-7-13(10)20-16)15-17-12-6-2-4-8-14(12)19-15/h1-9H
InChI Key:
RVDUJQJNCDQXMC-UHFFFAOYSA-N
SMILES:
O=c1oc2ccccc2cc1c1nc2c(o1)cccc2
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.058g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.252g/mol
Monoisotopic Mass:
263.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Synthesis, photo- and electro-luminescence of 3-benzoxazol-2-yl-coumarin derivatives. | Journal of fluorescence 20120301 |
| 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 |
| Photophysics and spectroscopic properties of 3-benzoxazol-2-yl-chromen-2-one. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20030115 |
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