| CAS Number | 834914-37-3 |
| Catalog Number | AG00592F(AGN-PC-0HC74Q) |
| Chemical Name | 2H-Pyran-4-carboxylic acid, tetrahydro-4-(hydroxymethyl)-, methyl ester |
| IUPAC Name | methyl 4-(hydroxymethyl)oxane-4-carboxylate |
| InChI | InChI=1S/C8H14O4/c1-11-7(10)8(6-9)2-4-12-5-3-8/h9H,2-6H2,1H3 |
| InChI Key | XQEOKSHYYARIRN-UHFFFAOYSA-N |
| MDL Number | MFCD28403008 |
| Molecular Formula | C8H14O4 |
| Molecular Weight | 174.1944 |
| SMILES | C(=O)(OC)C1(CO)CCOCC1 |
| Synonyms | 834914-37-3,
Methyl 4-(hydroxymethyl)oxane-4-carboxylate,
2H-Pyran-4-carboxylic acid, tetrahydro-4-(hydroxymethyl)-, methyl ester,
SCHEMBL2028459,
CTK3D2038,
DTXSID10736686,
Methyl 4-(hydroxymethyl)tetrahydro-2H-pyran-4-carboxylate,
XQEOKSHYYARIRN-UHFFFAOYSA-N,
SB16211,
methyl 4-(hydroxymethyl)tetrahydro-2H-pyran-4-carboxylat,
|
| 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 | -0.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number