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209673-05-2 | Guanidine, N-hydroxy-N'-[(4-methoxyphenyl)methyl]-
CAS No: 209673-05-2 Catalog No: AG002KCQ MDL No:
Product Description
Catalog Number:
AG002KCQ
Chemical Name:
Guanidine, N-hydroxy-N'-[(4-methoxyphenyl)methyl]-
CAS Number:
209673-05-2
Molecular Formula:
C9H13N3O2
Molecular Weight:
195.2184
IUPAC Name:
1-hydroxy-2-[(4-methoxyphenyl)methyl]guanidine
InChI:
InChI=1S/C9H13N3O2/c1-14-8-4-2-7(3-5-8)6-11-9(10)12-13/h2-5,13H,6H2,1H3,(H3,10,11,12)
InChI Key:
PDFBUBVBXHVXFV-UHFFFAOYSA-N
SMILES:
ONC(=N)NCc1ccc(cc1)OC
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.101g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
195.222g/mol
Monoisotopic Mass:
195.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Electrochemical and peroxidase oxidation study of N'-hydroxyguanidine derivatives as NO donors. | Bioorganic & medicinal chemistry letters 20020603 |
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