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52648-37-0 | Pyridine, 3-isothiocyanato-2,6-dimethoxy- (9CI)
CAS No: 52648-37-0 Catalog No: AG00E2M4 MDL No:
Product Description
Catalog Number:
AG00E2M4
Chemical Name:
Pyridine, 3-isothiocyanato-2,6-dimethoxy- (9CI)
CAS Number:
52648-37-0
IUPAC Name:
3-isothiocyanato-2,6-dimethoxypyridine
InChI:
InChI=1S/C8H8N2O2S/c1-11-7-4-3-6(9-5-13)8(10-7)12-2/h3-4H,1-2H3
InChI Key:
BMHFAZJFFUZDJZ-UHFFFAOYSA-N
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.224g/mol
Monoisotopic Mass:
196.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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