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cis-3-methylcyclobutanecarboxylic acid - 97%, high purity , CAS No.87863-08-9
Discover cis-3-methylcyclobutanecarboxylic acid by Aladdin Scientific in 97% for only $2,686.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
3-Methylcyclobutanecarboxylic acid | 57252-83-2 | cis-3-Methylcyclobutanecarboxylic acid | TRANS-3-METHYLCYCLOBUTANECARBOXYLIC ACID | 87863-08-9 | 87863-09-0 | 3-methylcyclobutane-1-carboxylic acid | Cyclobutanecarboxylic acid, 3-methyl- | MFCD01734189 | cis-3-Methylcyclob
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
Carboxylic acids
Intermediate Tree Nodes
Not available
Direct Parent
Carboxylic acids
Alternative Parents
Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
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
3-methylcyclobutane-1-carboxylic acid
INCHI
InChI=1S/C6H10O2/c1-4-2-5(3-4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
InChIKey
ZLXHOVJKNATDMT-UHFFFAOYSA-N
Smiles
CC1CC(C1)C(=O)O
Isomeric SMILES
CC1CC(C1)C(=O)O
Molecular Weight
114.144
Reaxy-Rn
2429978
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2429978&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
114.140 g/mol
XLogP3
1.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
114.068 Da
Monoisotopic Mass
114.068 Da
Topological Polar Surface Area
37.300 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
103.000
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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