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15990-43-9 | Pyridinium, 3-carboxy-1-(phenylmethyl)-, inner salt
CAS No: 15990-43-9 Catalog No: AG001RIG MDL No:MFCD09841633
Product Description
Catalog Number:
AG001RIG
Chemical Name:
Pyridinium, 3-carboxy-1-(phenylmethyl)-, inner salt
CAS Number:
15990-43-9
MDL Number:
MFCD09841633
IUPAC Name:
1-benzylpyridin-1-ium-3-carboxylate
InChI:
InChI=1S/C13H11NO2/c15-13(16)12-7-4-8-14(10-12)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChI Key:
AVWFAACIXBQMBF-UHFFFAOYSA-N
EC Number:
240-129-1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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