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25069-75-4 | Benzenepropanoic acid, 4-(diphenylamino)-
CAS No: 25069-75-4 Catalog No: AG002QDF MDL No:
Product Description
Catalog Number:
AG002QDF
Chemical Name:
Benzenepropanoic acid, 4-(diphenylamino)-
CAS Number:
25069-75-4
Molecular Formula:
C21H19NO2
Molecular Weight:
317.3811
IUPAC Name:
3-[4-(N-phenylanilino)phenyl]propanoic acid
InChI:
InChI=1S/C21H19NO2/c23-21(24)16-13-17-11-14-20(15-12-17)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,14-15H,13,16H2,(H,23,24)
InChI Key:
QEDDFIUGRIZPMC-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(cc1)N(c1ccccc1)c1ccccc1
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.142g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.388g/mol
Monoisotopic Mass:
317.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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