| CAS Number | 52267-51-3 |
| Catalog Number | AG00JRIF(AGN-PC-0OBOLH) |
| Chemical Name | (E)-2-diazonio-1-(phenylmethoxy)ethenolate |
| IUPAC Name | benzyl 2-diazoacetate |
| InChI | InChI=1S/C9H8N2O2/c10-11-6-9(12)13-7-8-4-2-1-3-5-8/h1-6H,7H2 |
| InChI Key | JBBKWIFIXPBQGZ-UHFFFAOYSA-N |
| MDL Number | MFCD20527201 |
| Molecular Formula | C9H8N2O2 |
| Molecular Weight | 176.1720 |
| SMILES | [N-]=[N+]=CC(=O)OCC=1C=CC=CC1 |
| Synonyms | benzyl diazoacetate,
BENZYL 2-DIAZOACETATE,
52267-51-3,
Diazoacetic acid benzyl ester,
JBBKWIFIXPBQGZ-UHFFFAOYSA-N,
ZINC86012710,
(E)-2-diazonio-1-(phenylmethoxy)ethenolate,
Benzyl diazoacetate solution, 10% in toluene,
Benzyl diazoacetate, contains ~10% dichloromethane as stabilizer,
CID11073931,
(Z)-2-diazonio-1-phenylmethoxy-ethenolate,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.175g/mol |
| Monoisotopic Mass | 176.059g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 28.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number