| CAS Number | 1210226-46-2 |
| Catalog Number | AG01BCJA |
| Chemical Name | 4-(Methoxymethyl)oxane-4-carboxylic acid |
| IUPAC Name | 4-(methoxymethyl)oxane-4-carboxylic acid |
| InChI | InChI=1S/C8H14O4/c1-11-6-8(7(9)10)2-4-12-5-3-8/h2-6H2,1H3,(H,9,10) |
| InChI Key | HFIXVNNCONWPOR-UHFFFAOYSA-N |
| MDL Number | MFCD19374581 |
| Molecular Formula | C8H14O4 |
| Molecular Weight | 174.1944 |
| SMILES | COCC1(C(O)=O)CCOCC1 |
| Synonyms | 4-(methoxymethyl)oxane-4-carboxylic acid,
1210226-46-2,
4-(Methoxymethyl)tetrahydro-2H-pyran-4-carboxylic acid,
4-methoxymethyltetrahydro-2H-pyran-4-carboxylic acid,
SCHEMBL17960538,
ZINC62498584,
AKOS022468344,
KS-7504,
Z2168496123,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.196g/mol |
| Monoisotopic Mass | 174.089g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
Lot Number