| CAS Number | 1555624-29-7 |
| Catalog Number | AG01DVNG |
| Chemical Name | 2-(oxan-3-yloxy)acetic acid |
| IUPAC Name | 2-(oxan-3-yloxy)acetic acid |
| InChI | InChI=1S/C7H12O4/c8-7(9)5-11-6-2-1-3-10-4-6/h6H,1-5H2,(H,8,9) |
| InChI Key | PYLFZGBAIQDVIT-UHFFFAOYSA-N |
| MDL Number | MFCD28639870 |
| Molecular Formula | C7H12O4 |
| Molecular Weight | 160.1678 |
| SMILES | OC(COC1COCCC1)=O |
| Synonyms | 2-(oxan-3-yloxy)acetic acid,
1555624-29-7,
SCHEMBL2002142,
AKOS023797869,
|
| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.169g/mol |
| Monoisotopic Mass | 160.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number