| CAS Number | 108630-68-8 |
| Catalog Number | AG01BA10 |
| Chemical Name | 4-(Ethoxycarbonyl)Oxane-4-Carboxylic Acid |
| IUPAC Name | 4-ethoxycarbonyloxane-4-carboxylic acid |
| InChI | InChI=1S/C9H14O5/c1-2-14-8(12)9(7(10)11)3-5-13-6-4-9/h2-6H2,1H3,(H,10,11) |
| InChI Key | PXGIBQXQMRNWEG-UHFFFAOYSA-N |
| MDL Number | MFCD24485511 |
| Molecular Formula | C9H14O5 |
| Molecular Weight | 202.2045 |
| SMILES | O=C(C1(C(OCC)=O)CCOCC1)O |
| Synonyms | 4-(ethoxycarbonyl)oxane-4-carboxylic acid,
108630-68-8,
SCHEMBL5363175,
AKOS023770810,
ZINC108270880,
Z2044769448,
tetrahydro-4h-pyran-4,4-dicarboxylic acid 4-ethyl ester,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.206g/mol |
| Monoisotopic Mass | 202.084g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number