6-Cyclopropylnicotinic acid - ≥95% , CAS No.75893-75-3

CAS: 75893-75-3 Cat. No.: C194934 Formule: C₉H₉NO₂ Poids moléculaire: 163.17 Numéro CE: 812-247-9

GRADE & PURITY ≥95%

Synonyms

6-cyclopropylnicotinic acid|75893-75-3|6-CYCLOPROPYLPYRIDINE-3-CARBOXYLIC ACID|MFCD18255573|6-cyclopropylnicotinicacid|SCHEMBL14822500|DTXSID30498335|AZQLYGCISPLJER-UHFFFAOYSA-N|AKOS016011099|AB74679|6-Cyclppropylpyridine-3-carboxylic acid|DS-15587|SY1145

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

6-cyclopropylnicotinic acid | 75893-75-3 | 6-CYCLOPROPYLPYRIDINE-3-CARBOXYLIC ACID | MFCD18255573 | 6-cyclopropylnicotinicacid | SCHEMBL14822500 | DTXSID30498335 | AZQLYGCISPLJER-UHFFFAOYSA-N | AKOS016011099 | AB74679 | 6-Cyclppropylpyridine-3-carboxylic acid | DS-15587 | SY1145

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: C1CC1C2=NC=C(C=C2)C(=O)O
• IUPAC Name: 6-cyclopropylpyridine-3-carboxylic acid
• InChIKey: AZQLYGCISPLJER-UHFFFAOYSA-N
• INCHI: 1S/C9H9NO2/c11-9(12)7-3-4-8(10-5-7)6-1-2-6/h3-6H,1-2H2,(H,11,12)
• Isomères SMILES: C1CC1C2=NC=C(C=C2)C(=O)O
• Poids moléculaire: 163.17
• Reaxy-Rn: 21376694
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21376694&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Heteroaromatic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 163.170 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 163.063 Da
• Monoisotopic Mass: 163.063 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 189.000
• 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