| CAS Number | 108586-21-6 |
| Catalog Number | AG007UHU(AGN-PC-00NDQQ) |
| Chemical Name | ETHYL 7-OXABICYCLO[2.2.1]HEPT-2-ENE-3-CARBOXYLATE |
| IUPAC Name | ethyl 7-oxabicyclo[2.2.1]hept-2-ene-2-carboxylate |
| InChI | InChI=1S/C9H12O3/c1-2-11-9(10)7-5-6-3-4-8(7)12-6/h5-6,8H,2-4H2,1H3 |
| InChI Key | DYHIMFGJFXJZEF-UHFFFAOYSA-N |
| MDL Number | MFCD31556166 |
| Molecular Formula | C9H12O3 |
| Molecular Weight | 168.1898 |
| SMILES | CCOC(=O)C1=CC2CCC1O2 |
| Synonyms | 108586-21-6,
ethyl 7-oxabicyclo[2.2.1]hept-2-ene-3-carboxylate,
7-Oxabicyclo[2.2.1]hept-2-ene-2-carboxylic acid, ethyl ester,
ACMC-20mbm0,
CTK0D6285,
DTXSID60546015,
MFCD31556166,
AS-48716,
Ethyl 7-oxabicyclo[2.2.1]hept-2-ene-2-carboxylate,
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| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.192g/mol |
| Monoisotopic Mass | 168.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
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