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21003-78-1 | Benzoic acid, 2-[(3-hydroxyphenyl)amino]-
CAS No: 21003-78-1 Catalog No: AG002KJ1 MDL No:
Product Description
Catalog Number:
AG002KJ1
Chemical Name:
Benzoic acid, 2-[(3-hydroxyphenyl)amino]-
CAS Number:
21003-78-1
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
IUPAC Name:
2-(3-hydroxyanilino)benzoic acid
InChI:
InChI=1S/C13H11NO3/c15-10-5-3-4-9(8-10)14-12-7-2-1-6-11(12)13(16)17/h1-8,14-15H,(H,16,17)
InChI Key:
YQULREKUYCCSJA-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)Nc1ccccc1C(=O)O
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
229.235g/mol
Monoisotopic Mass:
229.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Thyroid hormone uptake by hepatocytes: structure-activity relationships of phenylanthranilic acids with inhibitory activity. | Journal of medicinal chemistry 19930430 |
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