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124221-69-8 | [1,1'-Biphenyl]-4-carboxylic acid, 3'-amino-
CAS No: 124221-69-8 Catalog No: AG000LP8 MDL No:MFCD03424680
Product Description
Catalog Number:
AG000LP8
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3'-amino-
CAS Number:
124221-69-8
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
MDL Number:
MFCD03424680
IUPAC Name:
4-(3-aminophenyl)benzoic acid
InChI:
InChI=1S/C13H11NO2/c14-12-3-1-2-11(8-12)9-4-6-10(7-5-9)13(15)16/h1-8H,14H2,(H,15,16)
InChI Key:
QUVFHVHLCFFINS-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)c1ccc(cc1)C(=O)O
Properties
Complexity:
246
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:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Nanometer-scale water-soluble macrocycles from nanometer-sized amino acids. | The Journal of organic chemistry 20100319 |
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