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ethyl 3-cyclopropyl-2-oxopropanoate - 97%, high purity , CAS No.64025-67-8
Discover ethyl 3-cyclopropyl-2-oxopropanoate by Aladdin Scientific in 97% for only $1,272.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
Ethyl 3-cyclopropyl-2-oxopropanoate | 64025-67-8 | Ethyl3-cyclopropyl-2-oxopropanoate | 3-cyclopropyl-2-oxo-propionic acid ethyl ester | SCHEMBL113236 | DTXSID20624383 | NEEXXQDCFONWJB-UHFFFAOYSA-N | MFCD12407170 | AKOS015898991 | SB11814 | PS-15419 | Ethyl beta-cyclopropyl-al
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acids and conjugates
Intermediate Tree Nodes
Not available
Direct Parent
Carbocyclic fatty acids
Alternative Parents
Fatty acid esters Alpha-keto acids and derivatives Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Carbocyclic fatty acid - Fatty acid ester - Keto acid - Alpha-keto acid - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - 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 carbocyclic fatty acids. These are fatty acids containing a carbocyclic 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 3-cyclopropyl-2-oxopropanoate
INCHI
InChI=1S/C8H12O3/c1-2-11-8(10)7(9)5-6-3-4-6/h6H,2-5H2,1H3
InChIKey
NEEXXQDCFONWJB-UHFFFAOYSA-N
Smiles
CCOC(=O)C(=O)CC1CC1
Isomeric SMILES
CCOC(=O)C(=O)CC1CC1
Molecular Weight
156.181
Reaxy-Rn
6857151
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6857151&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
156.180 g/mol
XLogP3
1.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
5
Exact Mass
156.079 Da
Monoisotopic Mass
156.079 Da
Topological Polar Surface Area
43.400 Ų
Heavy Atom Count
11
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
1
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