| CAS Number | 862728-59-4 |
| Catalog Number | AG003AMG(AGN-PC-0OK7XM) |
| Chemical Name | Ethanol, 2-(cyclopropyloxy)-, 1-(4-methylbenzenesulfonate) |
| IUPAC Name | 2-cyclopropyloxyethyl 4-methylbenzenesulfonate |
| InChI | InChI=1S/C12H16O4S/c1-10-2-6-12(7-3-10)17(13,14)16-9-8-15-11-4-5-11/h2-3,6-7,11H,4-5,8-9H2,1H3 |
| InChI Key | MTPPJFHIYMURGK-UHFFFAOYSA-N |
| MDL Number | MFCD22209886 |
| Molecular Formula | C12H16O4S |
| Molecular Weight | 256.3180 |
| SMILES | O=S(C1=CC=C(C)C=C1)(OCCOC2CC2)=O |
| Synonyms | Toluene-4-sulfonic acid 2-cyclopropoxy-ethyl ester,
862728-59-4,
2-cyclopropoxyethyl 4-methylbenzenesulfonate,
SCHEMBL499873,
MTPPJFHIYMURGK-UHFFFAOYSA-N,
MFCD22209886,
ZINC91304044,
AKOS027330903,
AM805475,
CS-0036228,
Ethanol, 2-(cyclopropyloxy)-, 1-(4-methylbenzenesulfonate),
|
| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.316g/mol |
| Monoisotopic Mass | 256.077g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 61A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H311-H331-H341
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number