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82957-06-0 | 6-Hydroxy-2-naphthimidamide methanesulfonate salt
CAS No: 82957-06-0 Catalog No: AG003N8F MDL No:MFCD00143493
Product Description
Catalog Number:
AG003N8F
Chemical Name:
6-Hydroxy-2-naphthimidamide methanesulfonate salt
CAS Number:
82957-06-0
Molecular Formula:
C12H14N2O4S
Molecular Weight:
282.3156
MDL Number:
MFCD00143493
IUPAC Name:
6-hydroxynaphthalene-2-carboximidamide;methanesulfonic acid
InChI:
InChI=1S/C11H10N2O.CH4O3S/c12-11(13)9-2-1-8-6-10(14)4-3-7(8)5-9;1-5(2,3)4/h1-6,14H,(H3,12,13);1H3,(H,2,3,4)
InChI Key:
NLLGCELWCUFUFD-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.Oc1ccc2c(c1)ccc(c2)C(=N)N
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
282.314g/mol
Monoisotopic Mass:
282.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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