| CAS Number | 479578-96-6 |
| Catalog Number | AG01AGI0(AGN-PC-06L3ZD) |
| Chemical Name | 3-[(3-formylphenoxy)methyl]benzoic acid |
| IUPAC Name | 3-[(3-formylphenoxy)methyl]benzoic acid |
| InChI | InChI=1S/C15H12O4/c16-9-11-3-2-6-14(8-11)19-10-12-4-1-5-13(7-12)15(17)18/h1-9H,10H2,(H,17,18) |
| InChI Key | JEWNIZNQBFYNKU-UHFFFAOYSA-N |
| MDL Number | MFCD12544993 |
| Molecular Formula | C15H12O4 |
| Molecular Weight | 256.2534 |
| SMILES | c1cc(cc(c1)C(=O)O)COc2cccc(c2)C=O |
| Synonyms | 3-(3-formylphenoxymethyl)benzoic acid,
3-((3-formylphenoxy)methyl)benzoic acid,
479578-96-6,
AC1Q730E,
SCHEMBL2559248,
ZINC37466450,
AKOS005926422,
MCULE-3306874171,
NE45948,
EN300-71932,
3-(3-formylphenoxymethyl)benzoic acid, AldrichCPR,
|
| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.257g/mol |
| Monoisotopic Mass | 256.074g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number