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29333-57-1 | Sulfamic acid, N,N-dimethyl-, 3-[2-(5-cyano-1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)diazenyl]phenyl ester
CAS No: 29333-57-1 Catalog No: AG002Y38 MDL No:
Product Description
Catalog Number:
AG002Y38
Chemical Name:
Sulfamic acid, N,N-dimethyl-, 3-[2-(5-cyano-1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)diazenyl]phenyl ester
CAS Number:
29333-57-1
Molecular Formula:
C16H17N5O5S
Molecular Weight:
391.4017
IUPAC Name:
[3-[(5-cyano-6-hydroxy-1,4-dimethyl-2-oxopyridin-3-yl)diazenyl]phenyl] N,N-dimethylsulfamate
InChI:
InChI=1S/C16H17N5O5S/c1-10-13(9-17)15(22)21(4)16(23)14(10)19-18-11-6-5-7-12(8-11)26-27(24,25)20(2)3/h5-8,22H,1-4H3
InChI Key:
WNNSTANUDGOPFP-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)c(N=Nc2cccc(c2)OS(=O)(=O)N(C)C)c(n(c1=O)C)O
EC Number:
249-566-2
Properties
Complexity:
859
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.095g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
391.402g/mol
Monoisotopic Mass:
391.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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