| CAS Number | 1334148-94-5 |
| Catalog Number | AG01AJT4 |
| Chemical Name | sodium 2-[hydroxy(phenyl)methyl]benzoate |
| IUPAC Name | sodium;2-[hydroxy(phenyl)methyl]benzoate |
| InChI | InChI=1S/C14H12O3.Na/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17;/h1-9,13,15H,(H,16,17);/q;+1/p-1 |
| InChI Key | ZBHOEESRYFQVOK-UHFFFAOYSA-M |
| MDL Number | MFCD19686390 |
| Molecular Formula | C14H11NaO3 |
| Molecular Weight | 250.2251 |
| SMILES | [Na+].OC(C1=C(C([O-])=O)C=CC=C1)C1=CC=CC=C1 |
| Synonyms | sodium 2-[hydroxy(phenyl)methyl]benzoate,
1334148-94-5,
MCULE-2363124162,
NE18083,
EN300-81859,
2-(Hydroxy-phenyl-methyl)-benzoic acid, sodium salt,
J-019738,
Z1295686851,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.229g/mol |
| Monoisotopic Mass | 250.061g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 60.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number