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72724-83-5 | 1-[1,2-dihydro-6-hydroxy-4-methyl-5-[[2-[(nonyloxy)carbonyl]phenyl]azo]-2-oxo-3-pyridyl]pyridinium chloride
CAS No: 72724-83-5 Catalog No: AG00FET2 MDL No:
Product Description
Catalog Number:
AG00FET2
Chemical Name:
1-[1,2-dihydro-6-hydroxy-4-methyl-5-[[2-[(nonyloxy)carbonyl]phenyl]azo]-2-oxo-3-pyridyl]pyridinium chloride
CAS Number:
72724-83-5
IUPAC Name:
nonyl 2-[(2-hydroxy-4-methyl-6-oxo-5-pyridin-1-ium-1-yl-1H-pyridin-3-yl)diazenyl]benzoate;chloride
InChI:
InChI=1S/C27H32N4O4.ClH/c1-3-4-5-6-7-8-14-19-35-27(34)21-15-10-11-16-22(21)29-30-23-20(2)24(26(33)28-25(23)32)31-17-12-9-13-18-31;/h9-13,15-18H,3-8,14,19H2,1-2H3,(H-,28,29,32,33,34);1H
InChI Key:
ZXGFIKQYPRHHLC-UHFFFAOYSA-N
EC Number:
276-786-6
Properties
Complexity:
814
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
512.219g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
513.035g/mol
Monoisotopic Mass:
512.219g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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