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2-oxa-5-azaspiro[3.4]octane hemioxalate - 97%, high purity , CAS No.1380571-82-3
Discover 2-oxa-5-azaspiro[3.4]octane hemioxalate by Aladdin Scientific in 97% for only $527.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
2-Oxa-5-azaspiro[3.4]octane hemioxalate | 1380571-82-3 | 2-Oxa-5-azaspiro[3.4]octane oxalate(2:1) | MFCD22373635 | AKOS032963024 | SB21695 | AS-34945 | bis(2-oxa-5-azaspiro[3.4]octane) oxalate | 2-Oxa-5-azaspiro[3.4]octaneoxalate(2:1) | CS-0051826 | A886319 | 2-Oxa-5-azaspiro[
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Dicarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Dicarboxylic acids and derivatives
Alternative Parents
Pyrrolidines Oxetanes Oxacyclic compounds Dialkylamines Dialkyl ethers Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Dicarboxylic acid or derivatives - Pyrrolidine - Oxetane - Carboxylic acid - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Organoheterocyclic compound - Azacycle - Oxacycle - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
2-oxa-5-azaspiro[3.4]octane;oxalic acid
INCHI
InChI=1S/2C6H11NO.C2H2O4/c2*1-2-6(7-3-1)4-8-5-6;3-1(4)2(5)6/h2*7H,1-5H2;(H,3,4)(H,5,6)
InChIKey
GKPRXKGNXUGYIQ-UHFFFAOYSA-N
Smiles
C1CC2(COC2)NC1.C1CC2(COC2)NC1.C(=O)(C(=O)O)O
Isomeric SMILES
C1CC2(COC2)NC1.C1CC2(COC2)NC1.C(=O)(C(=O)O)O
Molecular Weight
316.354
Reaxy-Rn
34433503
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34433503&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
316.350 g/mol
XLogP3
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
1
Exact Mass
316.163 Da
Monoisotopic Mass
316.163 Da
Topological Polar Surface Area
117.000 Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
170.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
3
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