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113125-55-6 | 2-Thiazolediazonium, 5-(ethoxycarbonyl)-4-methyl-, phosphate (1:1)
CAS No: 113125-55-6 Catalog No: AG007816 MDL No:
Product Description
Catalog Number:
AG007816
Chemical Name:
2-Thiazolediazonium, 5-(ethoxycarbonyl)-4-methyl-, phosphate (1:1)
CAS Number:
113125-55-6
Molecular Formula:
C7H10N3O6PS
Molecular Weight:
295.2096
IUPAC Name:
dihydrogen phosphate;5-ethoxycarbonyl-4-methyl-1,3-thiazole-2-diazonium
InChI:
InChI=1S/C7H8N3O2S.H3O4P/c1-3-12-6(11)5-4(2)9-7(10-8)13-5;1-5(2,3)4/h3H2,1-2H3;(H3,1,2,3,4)/q+1;/p-1
InChI Key:
KWQUVKDMDZXYEQ-UHFFFAOYSA-M
SMILES:
[O-]P(=O)(O)O.CCOC(=O)c1sc(nc1C)[N+]#N
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.003g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.206g/mol
Monoisotopic Mass:
295.003g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
176A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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