| CAS Number | 1359655-43-8 |
| Catalog Number | AG00A094(AGN-PC-0WAC2D) |
| Chemical Name | 6-Oxa-1-azaspiro[3.3]heptane oxalate |
| IUPAC Name | 6-oxa-1-azaspiro[3.3]heptane;oxalic acid |
| InChI | InChI=1S/C5H9NO.C2H2O4/c1-2-6-5(1)3-7-4-5;3-1(4)2(5)6/h6H,1-4H2;(H,3,4)(H,5,6) |
| InChI Key | ZKXFHPOIDKRDSZ-UHFFFAOYSA-N |
| MDL Number | MFCD21364487 |
| Molecular Formula | C7H11NO5 |
| Molecular Weight | 189.1659 |
| SMILES | O=C(O)C(=O)O.O2(CC1(NCC1)(C2)) |
| Synonyms | 6-Oxa-1-azaspiro[3.3]heptane oxalate,
1359655-43-8,
SCHEMBL14911581,
ZKXFHPOIDKRDSZ-UHFFFAOYSA-N,
KS-00002AX6,
MFCD21364487,
AKOS025296416,
OR16706,
PB23099,
PS-9397,
6-oxa-1-azaspiro[3.3]heptane; oxalic acid,
6-oxa-1-azaspiro[3.3]heptane, oxalate salt,
Q-4295,
1,2-Naphthalenedicarboxylicacid, 7-[(4-aminobutyl)ethylamino]-, 1,2-dihydrazide,
112076-60-5,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.167g/mol |
| Monoisotopic Mass | 189.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 95.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| 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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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P271-P280
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UN Code
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Certificate of Analysis
Lot Number