| CAS Number | 1447944-17-3 |
| Catalog Number | AG01DYS6 |
| Chemical Name | 1-(tetrahydro-2H-pyran-4-yl)cyclopropanecarboxylic acid |
| IUPAC Name | 1-(oxan-4-yl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C9H14O3/c10-8(11)9(3-4-9)7-1-5-12-6-2-7/h7H,1-6H2,(H,10,11) |
| InChI Key | SRYVPEYICKYUPP-UHFFFAOYSA-N |
| MDL Number | MFCD21922832 |
| Molecular Formula | C9H14O3 |
| Molecular Weight | 170.2057 |
| SMILES | OC(C1(C2CCOCC2)CC1)=O |
| Synonyms | 1447944-17-3,
1-(tetrahydro-2H-pyran-4-yl)Cyclopropanecarboxylic acid,
Cyclopropanecarboxylic acid, 1-(tetrahydro-2H-pyran-4-yl),
SCHEMBL3466228,
ZINC82854974,
AKOS017979218,
FT-0741830,
1-(oxan-4-yl)cyclopropane-1-carboxylic acid,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.208g/mol |
| Monoisotopic Mass | 170.094g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number