| CAS Number | 1523606-45-2 |
| Catalog Number | AG003A8S(AGN-PC-0WBSSF) |
| Chemical Name | 1-Oxa-8-azaspiro[4.5]decane oxalate(2:1) |
| IUPAC Name | 1-oxa-8-azaspiro[4.5]decane;oxalic acid |
| InChI | InChI=1S/2C8H15NO.C2H2O4/c2*1-2-8(10-7-1)3-5-9-6-4-8;3-1(4)2(5)6/h2*9H,1-7H2;(H,3,4)(H,5,6) |
| InChI Key | SLMQVGNERXKRRS-UHFFFAOYSA-N |
| MDL Number | MFCD27988006 |
| Molecular Formula | C18H32N2O6 |
| Molecular Weight | 372.4565 |
| SMILES | O=C(O)C(O)=O.O1CCCC12CCNCC2.O3CCCC34CCNCC4 |
| Synonyms | 1523606-45-2,
1-oxa-8-azaspiro[4.5]decane hemioxalate,
1-Oxa-8-azaspiro[4.5]decane oxalate(2:1),
1-Oxa-8-azaspiro[4.5]decane oxalate,
KS-000006XD,
MFCD27988006,
SB20121,
AK172198,
AS-34434,
bis(1-oxa-8-azaspiro[4.5]decane) oxalate,
CS-0052416,
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| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 372.226g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 372.462g/mol |
| Monoisotopic Mass | 372.226g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number