| CAS Number | 2049-21-0 |
| Catalog Number | AG00C2U9(AGN-PC-0029GA) |
| Chemical Name | rac Guaifenesin Cyclic Carbonate |
| IUPAC Name | 4-[(2-methoxyphenoxy)methyl]-1,3-dioxolan-2-one |
| InChI | InChI=1S/C11H12O5/c1-13-9-4-2-3-5-10(9)14-6-8-7-15-11(12)16-8/h2-5,8H,6-7H2,1H3 |
| InChI Key | YZXWOTFONXXTKG-UHFFFAOYSA-N |
| MDL Number | MFCD01631098 |
| Molecular Formula | C11H12O5 |
| Molecular Weight | 224.2100 |
| SMILES | COc1ccccc1OCC2COC(=O)O2 |
| Synonyms | 2049-21-0,
rac Guaifenesin Cyclic Carbonate,
SCHEMBL10570888,
DTXSID00562613,
FT-0669065,
4-(2-Methoxyphenoxymethyl)-1,3-dioxolane-2-one,
4-[(2-Methoxyphenoxy)methyl]-1,3-dioxolan-2-one,
rac-4-(2-methoxyphenoxymethyl)-[1,3]dioxolan-2-one,
Carbonic Acid Cyclic [(o-Methoxyphenoxy)methyl]ethylene Ester,
4-[(2-Methoxyphenoxy)methyl]-1,3-dioxolan-2-one 3-(o-Methoxyphenoxy)-1,2-propanediol Cyclic Carbonate,
4-((2-methoxyphenoxy)methyl)-1,3-dioxolan-2-one,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.212g/mol |
| Monoisotopic Mass | 224.068g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number