| CAS Number | 1578484-71-5 |
| Catalog Number | AG01B3X5 |
| Chemical Name | 3-(methoxymethyl)azetidine, 4-methylbenzene-1-sulfonic acid |
| IUPAC Name | 3-(methoxymethyl)azetidine;4-methylbenzenesulfonic acid |
| InChI | InChI=1S/C7H8O3S.C5H11NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-7-4-5-2-6-3-5/h2-5H,1H3,(H,8,9,10);5-6H,2-4H2,1H3 |
| InChI Key | DZMPUXPPOPFJIG-UHFFFAOYSA-N |
| MDL Number | MFCD11616712 |
| Molecular Formula | C12H19NO4S |
| Molecular Weight | 273.3486 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.COCC1CNC1 |
| Synonyms | 1578484-71-5,
3-(Methoxymethyl)azetidine 4-methylbenzenesulfonate,
SCHEMBL16968059,
3-(methoxymethyl)azetidine, 4-methylbenzene-1-sulfonic acid,
3-(methoxymethyl)azetidine; 4-methylbenzene-1-sulfonic acid,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.103479g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.35g/mol |
| Monoisotopic Mass | 273.103479g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 84Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number