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5,8-dioxaspiro[3.4]octane-2-carboxylic acid - 97%, high purity , CAS No.1001907-64-7
Discover 5,8-dioxaspiro[3.4]octane-2-carboxylic acid by Aladdin Scientific in 97% for only $72.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
5,8-dioxaspiro[3.4]octane-2-carboxylic acid | 1001907-64-7 | 5,8-Dioxa-spiro[3.4]octane-2-carboxylic acid | 3-(1,3-Dioxolane)cyclobutanecarboxylic acid | MFCD11036133 | SCHEMBL12367831 | DTXSID90669726 | AMY35003 | BQB90764 | AKOS006307011 | PB31516 | AS-34150 | SY099102 | 5,8-dio
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Ethers
Intermediate Tree Nodes
Acetals
Direct Parent
Ketals
Alternative Parents
1,3-dioxolanes Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Ketal - Meta-dioxolane - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
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
5,8-dioxaspiro[3.4]octane-2-carboxylic acid
INCHI
InChI=1S/C7H10O4/c8-6(9)5-3-7(4-5)10-1-2-11-7/h5H,1-4H2,(H,8,9)
InChIKey
PGWGOPXPTJDZKT-UHFFFAOYSA-N
Smiles
C1COC2(O1)CC(C2)C(=O)O
Isomeric SMILES
C1COC2(O1)CC(C2)C(=O)O
Molecular Weight
158.153
Reaxy-Rn
28161565
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28161565&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
158.150 g/mol
XLogP3
-0.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
158.058 Da
Monoisotopic Mass
158.058 Da
Topological Polar Surface Area
55.800 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
175.000
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
1
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