| CAS Number | 438030-11-6 |
| Catalog Number | AG019GGU |
| Chemical Name | 4-{[(3-methoxyphenyl)carbamoyl]methoxy}benzoic acid |
| IUPAC Name | 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoic acid |
| InChI | InChI=1S/C16H15NO5/c1-21-14-4-2-3-12(9-14)17-15(18)10-22-13-7-5-11(6-8-13)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20) |
| InChI Key | JLZDLGWJGAZARE-UHFFFAOYSA-N |
| MDL Number | MFCD03478328 |
| Molecular Formula | C16H15NO5 |
| Molecular Weight | 301.2940 |
| SMILES | COC1=CC(NC(COC2=CC=C(C(O)=O)C=C2)=O)=CC=C1 |
| Synonyms | 4-{[(3-methoxyphenyl)carbamoyl]methoxy}benzoic acid,
438030-11-6,
4-[(3-Methoxy-phenylcarbamoyl)-methoxy]-benzoic acid,
AC1NLNCI,
AC1Q48NK,
Oprea1_193527,
CTK7A9715,
ZINC3884635,
AKOS000114579,
MCULE-3750829385,
NE25712,
EN300-00157,
4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoic acid,
Z56837048,
CID4985612,
4-[(3-methoxyphenyl)carbamoylmethoxy]benzoic Acid,
benzoic acid, 4-[2-[(3-methoxyphenyl)amino]-2-oxoethoxy]-,
|
| Complexity | 379 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.298g/mol |
| Monoisotopic Mass | 301.095g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number