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Home > Pyridines > 138416-82-7
138416-82-7 | Pyridinium, 2-methyl-1-[[(phenylmethoxy)carbonyl]oxy]-, chloride (1:1)
CAS No: 138416-82-7 Catalog No: AG001931 MDL No:
Product Description
Catalog Number:
AG001931
Chemical Name:
Pyridinium, 2-methyl-1-[[(phenylmethoxy)carbonyl]oxy]-, chloride (1:1)
CAS Number:
138416-82-7
Molecular Formula:
C14H14ClNO3
Molecular Weight:
279.7189
IUPAC Name:
benzyl (2-methylpyridin-1-ium-1-yl) carbonate;chloride
InChI:
InChI=1S/C14H14NO3.ClH/c1-12-7-5-6-10-15(12)18-14(16)17-11-13-8-3-2-4-9-13;/h2-10H,11H2,1H3;1H/q+1;/p-1
InChI Key:
ZJVVQJNDCGYWPW-UHFFFAOYSA-M
SMILES:
O=C(O[n+]1ccccc1C)OCc1ccccc1.[Cl-]
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.066g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.72g/mol
Monoisotopic Mass:
279.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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