| CAS Number | 72323-93-4 |
| Catalog Number | AG00FK16(AGN-PC-09SY4T) |
| Chemical Name | 4-(Benzyloxy)-3-methylbenzoic acid |
| IUPAC Name | 3-methyl-4-phenylmethoxybenzoic acid |
| InChI | InChI=1S/C15H14O3/c1-11-9-13(15(16)17)7-8-14(11)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17) |
| InChI Key | NLQKPMZDWHTVCF-UHFFFAOYSA-N |
| MDL Number | MFCD11044849 |
| Molecular Formula | C15H14O3 |
| Molecular Weight | 242.2699 |
| SMILES | c1(c(ccc(c1)C(=O)O)OCc1ccccc1)C |
| Synonyms | 4-Benzyloxy-3-methylbenzoic acid,
72323-93-4,
Benzoicacid, 3-methyl-4-(phenylmethoxy)-,
4-(BENZYLOXY)-3-METHYLBENZOIC ACID,
SCHEMBL13440174,
CTK2H5422,
DTXSID00703564,
MFCD11044849,
ZINC36193750,
AKOS011997695,
AS-19423,
X8052,
C15H14O3,
4-BENZYLOXY-3-METHYLBENZOICACID,
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| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.274g/mol |
| Monoisotopic Mass | 242.094g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number