2-Oxa-5-azaspiro[3.4]octane oxalate salt - CAS 1433363-32-6
Catalog: |
BB009569 |
Product Name: |
2-Oxa-5-azaspiro[3.4]octane oxalate salt |
CAS: |
1433363-32-6 |
Synonyms: |
2-oxa-5-azaspiro[3.4]octane;oxalic acid |
IUPAC Name: | 2-oxa-5-azaspiro[3.4]octane;oxalic acid |
Description: | 2-Oxa-5-azaspiro[3.4]octane oxalate salt (CAS# 1433363-32-6 ) is a useful research chemical. |
Molecular Weight: | 113.16 (free base) |
Molecular Formula: | C6H11NO · xC2H2O4 |
Canonical SMILES: | C1CC2(COC2)NC1.C(=O)(C(=O)O)O |
InChI: | InChI=1S/C6H11NO.C2H2O4/c1-2-6(7-3-1)4-8-5-6;3-1(4)2(5)6/h7H,1-5H2;(H,3,4)(H,5,6) |
InChI Key: | JFOZNINEJYPQQK-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-2921881-A1 | Alkynyl alcohols and methods of use | 20130822 |
CN-105658639-A | Alkynyl alcohols and methods of use | 20130822 |
EP-3036229-A1 | Alkynyl alcohols and methods of use | 20130822 |
TW-201542520-A | Alkynyl alcohol and method of use thereof | 20130822 |
US-2015057260-A1 | Alkynyl alcohols and methods of use | 20130822 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.07937252 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.07937252 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 95.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Oxetane/Thietane
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