| CAS Number | 54579-63-4 |
| Catalog Number | AG00DMQ0(AGN-PC-03XBFB) |
| Chemical Name | 3-(4-Aminophenoxy)benzoic acid |
| IUPAC Name | 3-(4-aminophenoxy)benzoic acid |
| InChI | InChI=1S/C13H11NO3/c14-10-4-6-11(7-5-10)17-12-3-1-2-9(8-12)13(15)16/h1-8H,14H2,(H,15,16) |
| InChI Key | ZIKOFLSRJZCPKF-UHFFFAOYSA-N |
| MDL Number | MFCD09035494 |
| Molecular Formula | C13H11NO3 |
| Molecular Weight | 229.2313 |
| SMILES | O=C(O)C2(=CC(OC1(=CC=C(N)C=C1))=CC=C2) |
| Synonyms | 3-(4-Aminophenoxy)benzoic acid,
54579-63-4,
4-(3-carboxyphenoxy)aniline,
SCHEMBL619686,
4-(3- Carboxyphenoxy)aniline,
AKOS BC-0783,
ZIKOFLSRJZCPKF-UHFFFAOYSA-N,
KS-00003TN3,
5370AE,
MFCD09035494,
ZINC95215251,
AKOS004119345,
TS-03256,
C13H11NO3,
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| Complexity | 261 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.235g/mol |
| Monoisotopic Mass | 229.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number