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886363-12-8 | 2-(3'-Amino-[1,1'-biphenyl]-4-yl);acetic acid
CAS No: 886363-12-8 Catalog No: AG004AP7 MDL No:
Product Description
Catalog Number:
AG004AP7
Chemical Name:
2-(3'-Amino-[1,1'-biphenyl]-4-yl);acetic acid
CAS Number:
886363-12-8
Molecular Formula:
C14H13NO2
Molecular Weight:
227.2585
IUPAC Name:
2-[4-(3-aminophenyl)phenyl]acetic acid
InChI:
InChI=1S/C14H13NO2/c15-13-3-1-2-12(9-13)11-6-4-10(5-7-11)8-14(16)17/h1-7,9H,8,15H2,(H,16,17)
InChI Key:
NAAHKTGYIYVJMX-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1)c1cccc(c1)N
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.263g/mol
Monoisotopic Mass:
227.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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