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45867-57-0 | 2-(methoxycarbonyl)-1-methylpyridin-1-ium
CAS No: 45867-57-0 Catalog No: AG01DHPZ MDL No:
Product Description
Catalog Number:
AG01DHPZ
Chemical Name:
2-(methoxycarbonyl)-1-methylpyridin-1-ium
CAS Number:
45867-57-0
Molecular Formula:
C8H10NO2+
Molecular Weight:
152.1705
IUPAC Name:
methyl 1-methylpyridin-1-ium-2-carboxylate
InChI:
InChI=1S/C8H10NO2/c1-9-6-4-3-5-7(9)8(10)11-2/h3-6H,1-2H3/q+1
InChI Key:
NFZJPEAJXDDBBW-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc[n+]1C
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.071g/mol
Formal Charge:
1
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.173g/mol
Monoisotopic Mass:
152.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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