Cyclohexylacetic Acid - 10mM in DMSO , CAS No.5292-21-7

CAS: 5292-21-7 Cat. No.: C424536 분자식: C₈H₁₄O₂ 분자량: 142.2 EC 번호: 226-132-0

GRADE & PURITY 10mM in DMSO

Synonyms

Cyclohexaneacetic acid | Cyclohexane-acetic acid | Z104486044 | Cyclohexaneacetic acid, >=98% | Q27117096 | WLN: L6TJ A1VQ | AI3-14243 | s6022 | LJOODBDWMQKMFB-UHFFFAOYSA- | A829309 | cyclohexyl acetic acid | F11130 | V43K3TO0HN | CYCLOHEXYLACETIC ACID |

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

동의어

Cyclohexaneacetic acid | Cyclohexane-acetic acid | Z104486044 | Cyclohexaneacetic acid, >=98% | Q27117096 | WLN: L6TJ A1VQ | AI3-14243 | s6022 | LJOODBDWMQKMFB-UHFFFAOYSA- | A829309 | cyclohexyl acetic acid | F11130 | V43K3TO0HN | CYCLOHEXYLACETIC ACID |

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

Pubchem Sid

528773243

정식 스마일

C1CCC(CC1)CC(=O)O

IUPAC Name

2-cyclohexylacetic acid

InChIKey

LJOODBDWMQKMFB-UHFFFAOYSA-N

INCHI

1S/C8H14O2/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)

이성체 SMILES

C1CCC(CC1)CC(=O)O

WGK 독일

3

RTECS

GU6490000

분자량

142.2

Reaxy-Rn

2041326

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2041326&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• External Descriptors: monocarboxylic acid

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

화학 및 물리적 특성

• 발화점(°F): 235.4 °F
• 발화점(°C): 113 °C
• 끓는점(°C): 242-244℃
• 녹는점(°C): 30 °C
• 분자량: 142.200 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 142.099 Da
• Monoisotopic Mass: 142.099 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 114.000
• 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