| CAS Number | 1011803-87-4 |
| Catalog Number | AG01BHNW |
| Chemical Name | 4-(Oxan-4-yl)butanoic acid |
| IUPAC Name | 4-(oxan-4-yl)butanoic acid |
| InChI | InChI=1S/C9H16O3/c10-9(11)3-1-2-8-4-6-12-7-5-8/h8H,1-7H2,(H,10,11) |
| InChI Key | BFVBUNZUVYRMSB-UHFFFAOYSA-N |
| MDL Number | MFCD19401986 |
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.2215 |
| SMILES | OC(CCCC1CCOCC1)=O |
| Synonyms | 4-(oxan-4-yl)butanoic acid,
1011803-87-4,
4-(tetrahydro-2H-pyran-4-yl)butanoic acid,
SCHEMBL4170832,
Tetrahydro-2H-pyran-4-butanoic acid,
ZINC70054540,
AKOS013529063,
Z1993523195,
|
| Complexity | 139 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.224g/mol |
| Monoisotopic Mass | 172.11g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number