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N-(2-Methyl-1-Phenylpropyl)Aniline

Catalog Number
ACM3723328-2
Product Name
N-(2-Methyl-1-Phenylpropyl)Aniline
Structure
CAS
3723-32-8
Category
Carboxylic acid nitrogen-containing mixed MOF ligand-binary mixed ligand
IUPAC Name
3-(2-carboxypyridin-3-yl)pyridine-2-carboxylic acid
Molecular Weight
244.20g/mol
Molecular Formula
C12H8N2O4
InChI
InChI=1S/C12H8N2O4/c15-11(16)9-7(3-1-5-13-9)8-4-2-6-14-10(8)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChI Key
IIMIVNLUGUZNDR-UHFFFAOYSA-N
Complexity
302
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
244.04840674g/mol
Formal Charge
0
Heavy Atom Count
18
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Monoisotopic Mass
244.04840674g/mol
Rotatable Bond Count
3
Stability
3,3'-bipyridine-2,2'-dicarboxylate
Topological Polar Surface Area
100Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
1.1
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