| CAS Number | 139293-28-0 |
| Catalog Number | AG00HVIR(AGN-PC-00OYNH) |
| Chemical Name | 2-(6-Methoxynaphthalen-1-YL)propane-1,3-diol |
| IUPAC Name | 2-(6-methoxynaphthalen-1-yl)propane-1,3-diol |
| InChI | InChI=1S/C14H16O3/c1-17-12-5-6-14-10(7-12)3-2-4-13(14)11(8-15)9-16/h2-7,11,15-16H,8-9H2,1H3 |
| InChI Key | NFIRKFSLLJQYOU-UHFFFAOYSA-N |
| MDL Number | MFCD09788622 |
| Molecular Formula | C14H16O3 |
| Molecular Weight | 232.2750 |
| SMILES | COC1=CC2=C(C=C1)C(=CC=C2)C(CO)CO |
| Synonyms | 2-(6-METHOXYNAPHTHALEN-1-YL)PROPANE-1,3-DIOL,
139293-28-0,
SCHEMBL7780025,
CTK8A1510,
NFIRKFSLLJQYOU-UHFFFAOYSA-N,
AR2738,
MFCD09788622,
ZINC35287415,
AKOS027334938,
AS-45429,
X-2631,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.279g/mol |
| Monoisotopic Mass | 232.11g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number