| CAS Number | 428871-03-8 |
| Catalog Number | AG00D7W8(AGN-PC-03N64A) |
| Chemical Name | 3-(Oxan-4-yl)propan-1-ol |
| IUPAC Name | 3-(oxan-4-yl)propan-1-ol |
| InChI | InChI=1S/C8H16O2/c9-5-1-2-8-3-6-10-7-4-8/h8-9H,1-7H2 |
| InChI Key | FGWQPRUQOJWITB-UHFFFAOYSA-N |
| MDL Number | MFCD11226124 |
| Molecular Formula | C8H16O2 |
| Molecular Weight | 144.2114 |
| SMILES | OCCCC1CCOCC1 |
| Synonyms | 3-(oxan-4-yl)propan-1-ol,
428871-03-8,
3-(tetrahydro-2H-pyran-4-yl)propan-1-ol,
2H-Pyran-4-propanol, tetrahydro-,
SCHEMBL968476,
CTK1C8282,
DTXSID70624151,
FGWQPRUQOJWITB-UHFFFAOYSA-N,
ZINC35322912,
AKOS011898263,
NE44405,
3-(tetrahydro-pyran-4-yl)-propan-1-ol,
3-(tetrahydro-2H-pyran-4-yl)-1-propanol,
FT-0729157,
A1-08408,
F8888-0153,
Z1917996756,
tetrahydro-2H-Pyran-4-propanol,
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| Complexity | 77.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.214g/mol |
| Monoisotopic Mass | 144.115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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