| CAS Number | 99418-15-2 |
| Catalog Number | AG00IL4W(AGN-PC-0WO9YE) |
| Chemical Name | 2-oxabicyclo[3.1.0]hexane-6-carboxylic acid |
| IUPAC Name | 2-oxabicyclo[3.1.0]hexane-6-carboxylic acid |
| InChI | InChI=1S/C6H8O3/c7-6(8)4-3-1-2-9-5(3)4/h3-5H,1-2H2,(H,7,8) |
| InChI Key | WWOUNQUZFPEFBG-UHFFFAOYSA-N |
| MDL Number | MFCD11858178 |
| Molecular Formula | C6H8O3 |
| Molecular Weight | 128.1259 |
| SMILES | O=C(C1C2CCOC12)O |
| Synonyms | 2-oxabicyclo[3.1.0]hexane-6-carboxylic acid,
99418-15-2,
AC1Q74AO,
SCHEMBL2559109,
CTK7I6442,
WWOUNQUZFPEFBG-UHFFFAOYSA-N,
KS-000008KP,
MFCD11858178,
AKOS022965780,
AS-53998,
CS-0051822,
EN300-82506,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.127g/mol |
| Monoisotopic Mass | 128.047g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
Lot Number