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16851-08-4 | 4H-1-Benzopyran-4-thione, 7-(acetyloxy)-3-(4-methoxyphenyl)-
CAS No: 16851-08-4 Catalog No: AG001Y3X MDL No:
Product Description
Catalog Number:
AG001Y3X
Chemical Name:
4H-1-Benzopyran-4-thione, 7-(acetyloxy)-3-(4-methoxyphenyl)-
CAS Number:
16851-08-4
Molecular Formula:
C18H14O4S
Molecular Weight:
326.3664
IUPAC Name:
[3-(4-methoxyphenyl)-4-sulfanylidenechromen-7-yl] acetate
InChI:
InChI=1S/C18H14O4S/c1-11(19)22-14-7-8-15-17(9-14)21-10-16(18(15)23)12-3-5-13(20-2)6-4-12/h3-10H,1-2H3
InChI Key:
YTXPADUBACXOGN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1coc2c(c1=S)ccc(c2)OC(=O)C
NSC Number:
95378
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.061g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.366g/mol
Monoisotopic Mass:
326.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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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