| CAS Number | 891831-58-6 |
| Catalog Number | AG019XQG |
| Chemical Name | 3-(2-Carbamoylphenoxymethyl)benzoic acid |
| IUPAC Name | 3-[(2-carbamoylphenoxy)methyl]benzoic acid |
| InChI | InChI=1S/C15H13NO4/c16-14(17)12-6-1-2-7-13(12)20-9-10-4-3-5-11(8-10)15(18)19/h1-8H,9H2,(H2,16,17)(H,18,19) |
| InChI Key | QAGZWYKACUOXOW-UHFFFAOYSA-N |
| MDL Number | MFCD09929341 |
| Molecular Formula | C15H13NO4 |
| Molecular Weight | 271.2680 |
| SMILES | NC(C1=C(OCC2=CC(C(O)=O)=CC=C2)C=CC=C1)=O |
| Synonyms | 3-(2-carbamoylphenoxymethyl)benzoic acid,
891831-58-6,
AC1Q4Z9A,
SCHEMBL5509785,
CTK7I8649,
QAGZWYKACUOXOW-UHFFFAOYSA-N,
ZINC19426883,
AKOS000172692,
MCULE-2396134768,
NE37519,
3-(2-carbamoyl-phenoxymethyl)-benzoic acid,
3-[(2-carbamoylphenoxy)methyl]benzoic acid,
EN300-55778,
Z149200094,
|
| Complexity | 358 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.272g/mol |
| Monoisotopic Mass | 271.084g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 89.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number