| CAS Number | 62507-85-1 |
| Catalog Number | AG00EDYM(AGN-PC-0LGGN3) |
| Chemical Name | 4-(3-methylphenoxy)benzoic acid |
| IUPAC Name | 4-(3-methylphenoxy)benzoic acid |
| InChI | InChI=1S/C14H12O3/c1-10-3-2-4-13(9-10)17-12-7-5-11(6-8-12)14(15)16/h2-9H,1H3,(H,15,16) |
| InChI Key | XBZMSARMROSBTE-UHFFFAOYSA-N |
| MDL Number | MFCD02068131 |
| Molecular Formula | C14H12O3 |
| Molecular Weight | 228.2433 |
| SMILES | C(O)(=O)C1C=CC(=CC=1)OC1C=CC=C(C)C=1 |
| Synonyms | 4-(3-methylphenoxy)benzoic Acid,
62507-85-1,
4-(m-Tolyloxy)benzoic acid,
Benzoic acid, 4-(3-methylphenoxy)-,
AC1NHFCR,
Oprea1_603022,
SCHEMBL15013520,
CTK2B8456,
DTXSID90406274,
ZINC5942977,
ZX-CM005279,
MFCD02068131,
AKOS000263965,
AJ-55282,
DA-41882,
BC4164718,
FT-0723885,
W-9040,
CID4739209,
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| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.247g/mol |
| Monoisotopic Mass | 228.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number