| CAS Number | 38263-56-8 |
| Catalog Number | AG0037BO(AGN-PC-0RG37X) |
| Chemical Name | (1R,2S,4S)-7-Oxabicyclo[2.2.1]heptan-2-exo-carboxylic acid |
| IUPAC Name | (1S,2R,4R)-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)/t4-,5-,6+/m1/s1 |
| InChI Key | UYLYISCHTFVYHN-PBXRRBTRSA-N |
| MDL Number | MFCD28390508 |
| Molecular Formula | C7H10O3 |
| Molecular Weight | 142.1525 |
| SMILES | O=C([C@@H]1[C@@](O2)([H])CC[C@@]2([H])C1)O |
| Synonyms | (1S,2R,4R)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid,
rac-(1R,2S,4S)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid,
1034079-37-2,
38263-56-8,
SCHEMBL9376106,
MFCD28390508,
ZINC34108057,
AKOS026728525,
MCULE-8797585481,
NE19118,
CS-0047391,
EN300-77460,
EN300-249076,
Z1270387222,
(1alpha,4alpha)-7-Oxabicyclo[2.2.1]heptane-2alpha-carboxylic acid,
7-OXABICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID,
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| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number