| CAS Number | 1344373-23-4 |
| Catalog Number | AG01BFZT(AGN-PC-0WOSTQ) |
| Chemical Name | 3-(Oxan-4-Yl)Prop-2-Ynoic Acid |
| IUPAC Name | 3-(oxan-4-yl)prop-2-ynoic acid |
| InChI | InChI=1S/C8H10O3/c9-8(10)2-1-7-3-5-11-6-4-7/h7H,3-6H2,(H,9,10) |
| InChI Key | JIYZTYVNTDNDHG-UHFFFAOYSA-N |
| MDL Number | MFCD20347383 |
| Molecular Formula | C8H10O3 |
| Molecular Weight | 154.1632 |
| SMILES | OC(C#CC1CCOCC1)=O |
| Synonyms | 3-(oxan-4-yl)prop-2-ynoic acid,
1344373-23-4,
ZINC70835718,
AKOS013860133,
Z2236664410,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.165g/mol |
| Monoisotopic Mass | 154.063g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number