| CAS Number | 1098432-95-1 |
| Catalog Number | AG00HBML(AGN-PC-0WBSS8) |
| Chemical Name | 2-(8-Oxabicyclo[3.2.1]octan-3-yl)acetic acid |
| IUPAC Name | 2-(8-oxabicyclo[3.2.1]octan-3-yl)acetic acid |
| InChI | InChI=1S/C9H14O3/c10-9(11)5-6-3-7-1-2-8(4-6)12-7/h6-8H,1-5H2,(H,10,11) |
| InChI Key | RQDYJUMHTIAJPD-UHFFFAOYSA-N |
| MDL Number | MFCD27988076 |
| Molecular Formula | C9H14O3 |
| Molecular Weight | 170.2057 |
| SMILES | O=C(O)CC1CC2CCC(C1)O2 |
| Synonyms | 1098432-95-1,
2-(8-oxabicyclo[3.2.1]octan-3-yl)acetic acid,
2-{8-oxabicyclo[3.2.1]octan-3-yl}acetic acid,
8-Oxabicyclo[3.2.1]octane-3-acetic acid,
exo-8-oxabicyclo[3.2.1]octane-3-acetic acid,
endo-2-(8-Oxabicyclo[3.2.1]octan-3-yl)acetic acid,
218624-37-4,
1436006-58-4,
MFCD27988076,
AKOS025291285,
FCH2516271,
SB21834,
KS-0000082T,
AK171794,
AS-34863,
CS-0052072,
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| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.208g/mol |
| Monoisotopic Mass | 170.094g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number