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cis-ethyl (1R,2S)-2-cyanocyclopropane-1-carboxylate - 97%, high purity , CAS No.699-23-0
Basic Description
Synonyms
699-23-0 | ethyl (1R,2S)-2-cyanocyclopropane-1-carboxylate | cis-ethyl (1R,2S)-2-cyanocyclopropane-1-carboxylate | 492468-16-3 | Ethyl cis-2-cyanocyclopropane-1-carboxylate | (1R,2S)-ethyl 2-cyanocyclopropanecarboxylate | Ethyl cis-(1r,2s)-2-cyanocyclopropane-1-carbo
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
Cyclopropanecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Cyclopropanecarboxylic acids and derivatives
Alternative Parents
Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Cyclopropanecarboxylic acid or derivatives - Carboxylic acid ester - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cyclopropanecarboxylic acids and derivatives. These are organic compounds containing a carboxyl group (or a derivative thereof) attached to a cyclopropane ring.
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
ethyl (1R,2S)-2-cyanocyclopropane-1-carboxylate
INCHI
InChI=1S/C7H9NO2/c1-2-10-7(9)6-3-5(6)4-8/h5-6H,2-3H2,1H3/t5-,6-/m1/s1
InChIKey
ABSAAQSCUQHJOC-PHDIDXHHSA-N
Smiles
CCOC(=O)C1CC1C#N
Isomeric SMILES
CCOC(=O)[C@@H]1C[C@@H]1C#N
Molecular Weight
139.1519
Reaxy-Rn
1940979
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1940979&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
139.150 g/mol
XLogP3
0.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
139.063 Da
Monoisotopic Mass
139.063 Da
Topological Polar Surface Area
50.100 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
191.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
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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