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

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Computed Properties

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

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

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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

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