| CAS Number | 1820740-81-5 |
| Catalog Number | AG00I14D(AGN-PC-0WQUNS) |
| Chemical Name | 4-(4-Methoxybenzyloxy)-1,3-butanediol |
| IUPAC Name | 4-[(4-methoxyphenyl)methoxy]butane-1,3-diol |
| InChI | InChI=1S/C12H18O4/c1-15-12-4-2-10(3-5-12)8-16-9-11(14)6-7-13/h2-5,11,13-14H,6-9H2,1H3 |
| InChI Key | GCVOAHFIFQYCKH-UHFFFAOYSA-N |
| MDL Number | MFCD12407128 |
| Molecular Formula | C12H18O4 |
| Molecular Weight | 226.2689 |
| SMILES | OCCC(COCc1ccc(cc1)OC)O |
| Synonyms | 4-(4-Methoxybenzyloxy)-1,3-butanediol,
1820579-68-7,
ACMC-20aj6r,
ACMC-20aj59,
CTK8C5291,
MFCD12407128,
TC-164484,
M2064,
4-[(4-METHOXYPHENYL)METHOXY]BUTANE-1,3-DIOL,
1820740-81-5,
(S)-4-(4-Methoxybenzyloxy)-1,3-butanediol,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.272g/mol |
| Monoisotopic Mass | 226.121g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number