| CAS Number | 19800-01-2 |
| Catalog Number | AG01AI9J(AGN-PC-00NAS3) |
| Chemical Name | 7-Oxabicyclo[2.2.1]heptane-2-carboxylic Acid |
| IUPAC Name | 7-oxabicyclo[2.2.1]heptane-2-carboxylic acid |
| InChI | InChI=1S/C7H10O3/c8-7(9)5-3-4-1-2-6(5)10-4/h4-6H,1-3H2,(H,8,9) |
| InChI Key | UYLYISCHTFVYHN-UHFFFAOYSA-N |
| MDL Number | MFCD18838957 |
| Molecular Formula | C7H10O3 |
| Molecular Weight | 142.1525 |
| SMILES | C12C(CC(CC1)O2)C(=O)O |
| Synonyms | 7-OXABICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID,
19800-01-2,
7-oxa-bicyclo[2.2.1]heptane-2-carboxylic acid,
7-Oxabicyclo(2.2.1)heptane-2-carboxylic acid,
Racemic-(1S,2R,4R)-7-Oxabicyclo[2.2.1]Heptane-2-Carboxylic Acid,
SCHEMBL2969767,
CTK8I5165,
DTXSID90545051,
UYLYISCHTFVYHN-UHFFFAOYSA-N,
38263-55-7,
38263-56-8,
MFCD18838957,
AKOS006381607,
NE45533,
BS-13331,
EN300-77106,
C7H10O3,
7-oxabicyclo[2.2.1]heptane-3-carboxylic acid,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.154g/mol |
| Monoisotopic Mass | 142.063g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number