| CAS Number | 1523617-84-6 |
| Catalog Number | AG003A5Z(AGN-PC-0WBSSJ) |
| Chemical Name | 1-Oxa-7-azaspiro[3.5]nonane oxalate(2:1) |
| IUPAC Name | 1-oxa-7-azaspiro[3.5]nonane;oxalic acid |
| InChI | InChI=1S/2C7H13NO.C2H2O4/c2*1-4-8-5-2-7(1)3-6-9-7;3-1(4)2(5)6/h2*8H,1-6H2;(H,3,4)(H,5,6) |
| InChI Key | NNCUIWZLZLNKEZ-UHFFFAOYSA-N |
| MDL Number | MFCD23702009 |
| Molecular Formula | C16H28N2O6 |
| Molecular Weight | 344.4033 |
| SMILES | O=C(O)C(O)=O.O1CCC12CCNCC2.O3CCC34CCNCC4 |
| Synonyms | 1523617-84-6,
1-Oxa-7-azaspiro[3.5]nonane oxalate(2:1),
1-oxa-7-azaspiro[3.5]nonane hemioxalate,
1-Oxa-7-azaspiro[3.5]nonane oxalate (2:1),
KS-000006WU,
MFCD23702009,
AKOS024462881,
SB20104,
AK162820,
AS-34429,
3-Oxa-7-azaspiro[3.5]nonane; oxalic acid,
CS-0052418,
1-OXA-7-AZASPIRO[3.5]NONANE OXALATE,
1408076-14-1,
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| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 344.195g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.408g/mol |
| Monoisotopic Mass | 344.195g/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