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63108-47-4 | alpha-[(tert-butylammonio)methyl]-6-hydroxymethyl-2-phenyl-4H-1,3-dioxino[5,4-b]pyridinium maleate
CAS No: 63108-47-4 Catalog No: AG00EN11 MDL No:
Product Description
Catalog Number:
AG00EN11
Chemical Name:
alpha-[(tert-butylammonio)methyl]-6-hydroxymethyl-2-phenyl-4H-1,3-dioxino[5,4-b]pyridinium maleate
CAS Number:
63108-47-4
IUPAC Name:
(Z)-but-2-enedioate;tert-butyl-[[6-(hydroxymethyl)-2-phenyl-4H-[1,3]dioxino[5,4-b]pyridin-5-ium-5-yl]methyl]azanium
InChI:
InChI=1S/C19H25N2O3.C4H4O4/c1-19(2,3)20-13-21-15(11-22)9-10-17-16(21)12-23-18(24-17)14-7-5-4-6-8-14;5-3(6)1-2-4(7)8/h4-10,18,20,22H,11-13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/q+1;/p-1/b;2-1-
InChI Key:
FAOFXCFGUAGSMU-BTJKTKAUSA-M
EC Number:
263-862-9
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
444.19g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
444.484g/mol
Monoisotopic Mass:
444.19g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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