(S)-3-methylnonanoic acid - Reagent grade , CAS No.35205-79-9

CAS: 35205-79-9 Cat. No.: S478991 Peso molecular: 172.26 Número EC: 621-883-4 PubChem CID: 232569

GRADE & PURITY Reagent Grade

Synonyms

(S)-3-methylnonanoic acid, AldrichCPR | LMFA01020154 | A1-03496 | Z362824108 | NSC30203 | NSC-30203 | l-3-Methylnonanoic acid | SB46775 | EN300-67149 | NSC 30203 | SCHEMBL1234905 | CHEBI:165363 | AKOS008119222 | 3-Methylnonanoic acid | 3-methyl-nonanoic a

Storage

Room temperature

Specifications

Sinónimos

(S)-3-methylnonanoic acid, AldrichCPR | LMFA01020154 | A1-03496 | Z362824108 | NSC30203 | NSC-30203 | l-3-Methylnonanoic acid | SB46775 | EN300-67149 | NSC 30203 | SCHEMBL1234905 | CHEBI:165363 | AKOS008119222 | 3-Methylnonanoic acid | 3-methyl-nonanoic a

Especificaciones y pureza

Reagent grade

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Reagent Grade

Nombres e identificadores

• Sonrisas canónicas: CCCCCCC(C)CC(=O)O
• IUPAC Name: 3-methylnonanoic acid
• InChIKey: ZDIXEQISPGRDEB-UHFFFAOYSA-N
• INCHI: 1S/C10H20O2/c1-3-4-5-6-7-9(2)8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
• Isómeros SMILES: CCCCCCC(C)CC(=O)O
• PubChem CID: 232569
• Peso molecular: 172.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Methyl-branched fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Methyl-branched fatty acid - Branched fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• External Descriptors: Branched fatty acids

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

Propiedades químicas y físicas

• Punto de inflamación (°F): Not applicable
• Punto de inflamación (°C): Not applicable
• Peso molecular: 172.260 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 172.146 Da
• Monoisotopic Mass: 172.146 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 121.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1