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89634-94-6 | Pyridine, 2,3,6-trimethyl-, perchlorate
CAS No: 89634-94-6 Catalog No: AG003W5Q MDL No:
Product Description
Catalog Number:
AG003W5Q
Chemical Name:
Pyridine, 2,3,6-trimethyl-, perchlorate
CAS Number:
89634-94-6
Molecular Formula:
C8H12ClNO4
Molecular Weight:
221.6382
IUPAC Name:
perchloric acid;2,3,6-trimethylpyridine
InChI:
InChI=1S/C8H11N.ClHO4/c1-6-4-5-7(2)9-8(6)3;2-1(3,4)5/h4-5H,1-3H3;(H,2,3,4,5)
InChI Key:
BHTGDPXWUAPOKZ-UHFFFAOYSA-N
SMILES:
O[Cl](=O)(=O)=O.Cc1ccc(c(n1)C)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.045g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.637g/mol
Monoisotopic Mass:
221.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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