| CAS Number | 1523606-41-8 |
| Catalog Number | AG00IKP9(AGN-PC-0WBT09) |
| Chemical Name | 2-Oxa-5-azabicyclo[2.2.2]octane hemioxalate |
| IUPAC Name | 2-oxa-5-azabicyclo[2.2.2]octane;oxalic acid |
| InChI | InChI=1S/2C6H11NO.C2H2O4/c2*1-2-6-3-7-5(1)4-8-6;3-1(4)2(5)6/h2*5-7H,1-4H2;(H,3,4)(H,5,6) |
| InChI Key | PWHSLHBTQUHNGP-UHFFFAOYSA-N |
| MDL Number | MFCD28100842 |
| Molecular Formula | C14H24N2O6 |
| Molecular Weight | 316.3502 |
| SMILES | O=C(O)C(O)=O.C1(CC2)OCC2NC1.C3(CC4)OCC4NC3 |
| Synonyms | 1523606-41-8,
2-oxa-5-azabicyclo[2.2.2]octane hemioxalate,
2-Oxa-5-azabicyclo[2.2.2]octane oxalate(2:1),
(1S,4S)-2-Oxa-5-azabicyclo[2.2.2]octane hemioxalate,
1951424-78-4,
AKOS025290345,
SB20782,
KS-000007K9,
AK172563,
CS-0051827,
bis(2-oxa-5-azabicyclo[2.2.2]octane) oxalate,
(1S,4S)-2-Oxa-5-azabicyclo[2.2.2]octane (1R,4R)-2-oxa-5-azabicyclo[2.2.2]octane oxalic acid,
(1S,4S)-2-Oxa-5-azabicyclo[2.2.2]octane; (1R,4R)-2-oxa-5-azabicyclo[2.2.2]octane; oxalic acid,
1408075-32-0,
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| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.354g/mol |
| Monoisotopic Mass | 316.163g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number