| CAS Number | 693824-80-5 |
| Catalog Number | AG01C41I |
| Chemical Name | 4-(prop-2-en-1-yl)oxane-4-carboxylic acid |
| IUPAC Name | 4-prop-2-enyloxane-4-carboxylic acid |
| InChI | InChI=1S/C9H14O3/c1-2-3-9(8(10)11)4-6-12-7-5-9/h2H,1,3-7H2,(H,10,11) |
| InChI Key | HVWQCIOJZRZQSC-UHFFFAOYSA-N |
| MDL Number | MFCD20658812 |
| Molecular Formula | C9H14O3 |
| Molecular Weight | 170.2057 |
| SMILES | OC(C1(CCOCC1)CC=C)=O |
| Synonyms | 4-Allyltetrahydro-2H-pyran-4-carboxylic acid,
693824-80-5,
SCHEMBL14261470,
ZINC83823327,
AKOS017531922,
4-(prop-2-en-1-yl)oxane-4-carboxylic acid,
|
| Complexity | 180 |
| 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 | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number