| CAS Number | 1000340-10-2 |
| Catalog Number | AG00H94M(AGN-PC-0WQYD1) |
| Chemical Name | 2-(6-propoxynaphthalen-1-yl)propane-1,3-diol |
| IUPAC Name | 2-(6-propoxynaphthalen-1-yl)propane-1,3-diol |
| InChI | InChI=1S/C16H20O3/c1-2-8-19-14-6-7-16-12(9-14)4-3-5-15(16)13(10-17)11-18/h3-7,9,13,17-18H,2,8,10-11H2,1H3 |
| InChI Key | DSGHIEYBWHROTQ-UHFFFAOYSA-N |
| MDL Number | MFCD09910432 |
| Molecular Formula | C16H20O3 |
| Molecular Weight | 260.3282 |
| SMILES | CCCOC1=CC2=C(C=C1)C(=CC=C2)C(CO)CO |
| Synonyms | 2-(6-PROPOXYNAPHTHALEN-1-YL)PROPANE-1,3-DIOL,
1000340-10-2,
CTK6E6137,
AR2735,
MFCD09910432,
ZINC35287378,
AKOS027334937,
AS-45428,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.141g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.333g/mol |
| Monoisotopic Mass | 260.141g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number