| CAS Number | 1016846-06-2 |
| Catalog Number | AG019Y3Y(AGN-PC-0WO54U) |
| Chemical Name | 2-[(Oxan-2-yl)methoxy]propanoic acid |
| IUPAC Name | 2-(oxan-2-ylmethoxy)propanoic acid |
| InChI | InChI=1S/C9H16O4/c1-7(9(10)11)13-6-8-4-2-3-5-12-8/h7-8H,2-6H2,1H3,(H,10,11) |
| InChI Key | IRLQQMAIHXIZDR-UHFFFAOYSA-N |
| MDL Number | MFCD09949864 |
| Molecular Formula | C9H16O4 |
| Molecular Weight | 188.2209 |
| SMILES | CC(C(O)=O)OCC1OCCCC1 |
| Synonyms | 2-(oxan-2-ylmethoxy)propanoic acid,
1016846-06-2,
AC1Q2C3C,
CTK7I5155,
AKOS000197273,
AKOS016904050,
MCULE-1548150869,
NE17499,
EN300-56927,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.223g/mol |
| Monoisotopic Mass | 188.105g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number