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1621-58-5 | 4H-1-Benzopyran-4-one, 3-(4-methoxyphenyl)-
CAS No: 1621-58-5 Catalog No: AG001SR4 MDL No:MFCD00218615
Product Description
Catalog Number:
AG001SR4
Chemical Name:
4H-1-Benzopyran-4-one, 3-(4-methoxyphenyl)-
CAS Number:
1621-58-5
Molecular Formula:
C16H12O3
Molecular Weight:
252.2647
MDL Number:
MFCD00218615
IUPAC Name:
3-(4-methoxyphenyl)chromen-4-one
InChI:
InChI=1S/C16H12O3/c1-18-12-8-6-11(7-9-12)14-10-19-15-5-3-2-4-13(15)16(14)17/h2-10H,1H3
InChI Key:
RIKPNWPEMPODJD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1coc2c(c1=O)cccc2
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.269g/mol
Monoisotopic Mass:
252.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Immunoassay for biochanin A. | Journal of immunological methods 20041101 |
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