| CAS Number | 54911-85-2 |
| Catalog Number | AG00DFFZ(AGN-PC-05J47R) |
| Chemical Name | 4-((Tetrahydro-2H-pyran-2-yl)oxy)butanal |
| IUPAC Name | 4-(oxan-2-yloxy)butanal |
| InChI | InChI=1S/C9H16O3/c10-6-2-4-8-12-9-5-1-3-7-11-9/h6,9H,1-5,7-8H2 |
| InChI Key | UWMPHMYUITTYTD-UHFFFAOYSA-N |
| MDL Number | MFCD09841317 |
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.2215 |
| SMILES | O=CCCCOC1CCCCO1 |
| Synonyms | 4-(oxan-2-yloxy)butanal,
54911-85-2,
4-Tetrahydropyranyloxy-butanal,
Butanal, 4-[(tetrahydro-2H-pyran-2-yl)oxy]-,
UWMPHMYUITTYTD-UHFFFAOYSA-N,
4-[(Tetrahydro-2H-pyran-2-yl)oxy]butanal,
4-(Tetrahydro-2H-pyran-2-yloxy)butanal,
AC1LB4H0,
SCHEMBL1846778,
4-tetrahydropyranyloxy-1-butanal,
CTK1G8890,
DTXSID20338796,
4-(tetrahydropyran-2-yloxy)butanal,
4-[(Tetrahydropyran-2-yl)oxy]butanal,
AKOS006329412,
4-(2-Tetrahydropyranyloxy)butyraldehyde,
4-(Tetrahydro-2H-pyran-2-yloxy)butanal #,
FT-0675050,
CID551206,
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| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.224g/mol |
| Monoisotopic Mass | 172.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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