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85168-84-9 | 1-(CARBOXYLATOMETHYL)DIMETHYLPYRIDINIUM
CAS No: 85168-84-9 Catalog No: AG004WCU MDL No:
Product Description
Catalog Number:
AG004WCU
Chemical Name:
1-(CARBOXYLATOMETHYL)DIMETHYLPYRIDINIUM
CAS Number:
85168-84-9
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
IUPAC Name:
2-(2,3-dimethylpyridin-1-ium-1-yl)acetate
InChI:
InChI=1S/C9H11NO2/c1-7-4-3-5-10(8(7)2)6-9(11)12/h3-5H,6H2,1-2H3
InChI Key:
GXHXILXUVIOAQJ-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C[n+]1cccc(c1C)C
EC Number:
285-926-5
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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