| CAS Number | 933747-23-0 |
| Catalog Number | AG01BFQQ |
| Chemical Name | Oxepane-4-carboxylic acid |
| IUPAC Name | oxepane-4-carboxylic acid |
| InChI | InChI=1S/C7H12O3/c8-7(9)6-2-1-4-10-5-3-6/h6H,1-5H2,(H,8,9) |
| InChI Key | LUTVJDHKNWWRKO-UHFFFAOYSA-N |
| MDL Number | MFCD21124931 |
| Molecular Formula | C7H12O3 |
| Molecular Weight | 144.1684 |
| SMILES | O1CCC(CCC1)C(=O)O |
| Synonyms | oxepane-4-carboxylic acid,
(R)-OXEPANE-4-CARBOXYLIC ACID,
933747-23-0,
AKOS014414431,
NE46933,
(S)-OXEPANE-4-CARBOXYLIC ACID,
N/A,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.17g/mol |
| Monoisotopic Mass | 144.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number