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76302-29-9 | 2-(4-(2-Pyridylamino)phenyl)propionic acid
CAS No: 76302-29-9 Catalog No: AG005E7B MDL No:
Product Description
Catalog Number:
AG005E7B
Chemical Name:
2-(4-(2-Pyridylamino)phenyl)propionic acid
CAS Number:
76302-29-9
Molecular Formula:
C14H14N2O2
Molecular Weight:
242.2732
IUPAC Name:
2-[4-(pyridin-2-ylamino)phenyl]propanoic acid
InChI:
InChI=1S/C14H14N2O2/c1-10(14(17)18)11-5-7-12(8-6-11)16-13-4-2-3-9-15-13/h2-10H,1H3,(H,15,16)(H,17,18)
InChI Key:
AHBKHOGVLKUYAT-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccc(cc1)Nc1ccccn1)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.278g/mol
Monoisotopic Mass:
242.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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