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27566-63-8 | Cyanamide, [2-(11-hydroxy-10-methoxyphenanthro[3,4-d]-1,3-dioxol-5-yl)ethyl]methyl-, acetate (ester) (8CI)
CAS No: 27566-63-8 Catalog No: AG002U2Q MDL No:
Product Description
Catalog Number:
AG002U2Q
Chemical Name:
Cyanamide, [2-(11-hydroxy-10-methoxyphenanthro[3,4-d]-1,3-dioxol-5-yl)ethyl]methyl-, acetate (ester) (8CI)
CAS Number:
27566-63-8
IUPAC Name:
[5-[2-[cyano(methyl)amino]ethyl]-10-methoxynaphtho[2,1-g][1,3]benzodioxol-11-yl] acetate
InChI:
InChI=1S/C22H20N2O5/c1-13(25)29-22-17(26-3)7-5-14-4-6-16-15(8-9-24(2)11-23)10-18-21(28-12-27-18)20(16)19(14)22/h4-7,10H,8-9,12H2,1-3H3
InChI Key:
HHXSEXSWQPDBHP-UHFFFAOYSA-N
NSC Number:
280773
Properties
Complexity:
648
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.137g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.411g/mol
Monoisotopic Mass:
392.137g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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