| CAS Number | 2060031-50-5 |
| Catalog Number | AG01BVP3 |
| Chemical Name | methyl 3-(3-methoxyphenyl)-3-(1H-1,2,3,4-tetrazol-1-yl)propanoate |
| IUPAC Name | methyl 3-(3-methoxyphenyl)-3-(tetrazol-1-yl)propanoate |
| InChI | InChI=1S/C12H14N4O3/c1-18-10-5-3-4-9(6-10)11(7-12(17)19-2)16-8-13-14-15-16/h3-6,8,11H,7H2,1-2H3 |
| InChI Key | SJYFUTQIBZAQLZ-UHFFFAOYSA-N |
| MDL Number | MFCD30497610 |
| Molecular Formula | C12H14N4O3 |
| Molecular Weight | 262.2646 |
| SMILES | COC(CC(N1N=NN=C1)C1=CC(OC)=CC=C1)=O |
| Synonyms | methyl 3-(3-methoxyphenyl)-3-(1H-1,2,3,4-tetrazol-1-yl)propanoate,
2060031-50-5,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.107g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.269g/mol |
| Monoisotopic Mass | 262.107g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 79.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number