cis-2-methylcyclopropanecarboxylic acid - ≥97% , CAS No.6142-57-0

CAS: 6142-57-0 Cat. No.: C634218 Summenformel: C₅H₈O₂ Molekulargewicht: 100.12 EG-Nummer: 228-141-5

GRADE & PURITY ≥97%

Synonyms

(S)-(+)-Dimethindene (maleate) | MFCD12031257 | SCHEMBL265423 | GDC 0941 bismesylate | (1S,2R)-2-methylcyclopropanecarboxylic acid | 2-(4-(Cyclohexylmethyl)piperazin-1-yl)-8-nitro-6-trifluoromethyl-4H-1,3-benzothiazin-4-one | FT-0656975 | SB40895 | 2-meth

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

(S)-(+)-Dimethindene (maleate) | MFCD12031257 | SCHEMBL265423 | GDC 0941 bismesylate | (1S,2R)-2-methylcyclopropanecarboxylic acid | 2-(4-(Cyclohexylmethyl)piperazin-1-yl)-8-nitro-6-trifluoromethyl-4H-1,3-benzothiazin-4-one | FT-0656975 | SB40895 | 2-meth

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: CC1CC1C(=O)O
• IUPAC Name: 2-methylcyclopropane-1-carboxylic acid
• InChIKey: AYEGPMGNMOIHDL-UHFFFAOYSA-N
• INCHI: 1S/C5H8O2/c1-3-2-4(3)5(6)7/h3-4H,2H2,1H3,(H,6,7)
• Isomere SMILES: CC1CC1C(=O)O
• Alternative CAS-Nummer: 6142-57-0,29555-02-0,6202-94-4
• NSC-Nummer: 245493
• Molekulargewicht: 100.12
• Reaxy-Rn: 2323873
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2323873&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Cyclopropanecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Cyclopropanecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclopropanecarboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclopropanecarboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cyclopropanecarboxylic acids. These are organic compounds containing a carboxyl group 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.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Molekulargewicht: 100.120 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 100.052 Da
• Monoisotopic Mass: 100.052 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 98.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1