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130288-22-1 | phthoxazolin
CAS No: 130288-22-1 Catalog No: AG00A7S6 MDL No:
Product Description
Catalog Number:
AG00A7S6
Chemical Name:
phthoxazolin
CAS Number:
130288-22-1
IUPAC Name:
(3R,4Z,6Z,8E)-3-hydroxy-2,2,4-trimethyl-10-(1,3-oxazol-5-yl)deca-4,6,8-trienamide
InChI:
InChI=1S/C16H22N2O3/c1-12(14(19)16(2,3)15(17)20)8-6-4-5-7-9-13-10-18-11-21-13/h4-8,10-11,14,19H,9H2,1-3H3,(H2,17,20)/b6-4-,7-5+,12-8-/t14-/m1/s1
InChI Key:
MRTUFVRJHFZVOT-FJOYPXEJSA-N
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
3
Exact Mass:
290.163g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.363g/mol
Monoisotopic Mass:
290.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| A microplate assay for selective measurement of growth of epithelial tumor cells in direct coculture with stromal cells. | Anticancer research 20040101 |
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