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6-oxaspiro[2.5]octane-1-carboxylic acid - 97%, high purity , CAS No.909406-73-1
Basic Description
Synonyms
6-oxaspiro[2.5]octane-1-carboxylic acid | 909406-73-1 | 6-oxaspiro[2.5]octane-2-carboxylic acid | MFCD16744613 | MFCD20642028 | MFCD20645954 | (s)-6-oxaspiro[2.5]octane-1-carboxylic acid | SCHEMBL3464994 | FGFLMSPWCDFJRM-UHFFFAOYSA-N | AKOS005217359 | PB24250 | 6-oxaspiro[2.5]
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Oxanes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Oxanes
Alternative Parents
Cyclopropanecarboxylic acids Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Oxane - Cyclopropanecarboxylic acid or derivatives - Cyclopropanecarboxylic acid - Oxacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.
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
6-oxaspiro[2.5]octane-2-carboxylic acid
INCHI
InChI=1S/C8H12O3/c9-7(10)6-5-8(6)1-3-11-4-2-8/h6H,1-5H2,(H,9,10)
InChIKey
FGFLMSPWCDFJRM-UHFFFAOYSA-N
Smiles
C1COCCC12CC2C(=O)O
Isomeric SMILES
C1COCCC12CC2C(=O)O
Molecular Weight
156.181
Reaxy-Rn
14748960
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14748960&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
156.180 g/mol
XLogP3
0.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
156.079 Da
Monoisotopic Mass
156.079 Da
Topological Polar Surface Area
46.500 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
182.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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