3-Hydroxycyclohexan-1-one - ≥97% , CAS No.823-19-8

CAS: 823-19-8 Cat. No.: H177528 분자식: C₆H₁₀O₂ 분자량: 114.14

GRADE & PURITY ≥97%

Synonyms

3-hydroxy-cyclohexan-1-one | 3-hydroxycyclohexan-1-one | Cyclohexanone, 3-hydroxy- | AS-53066 | MFCD21338523 | AB87578 | 3-Hydroxycyclohexanone | (3S)-3-hydroxycyclohexan-1-one | AKOS015906744 | (R)-3-Hydroxy-cyclohexanone | P16037 | Q27102476 | (S)-3-hyd

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

3-hydroxy-cyclohexan-1-one | 3-hydroxycyclohexan-1-one | Cyclohexanone, 3-hydroxy- | AS-53066 | MFCD21338523 | AB87578 | 3-Hydroxycyclohexanone | (3S)-3-hydroxycyclohexan-1-one | AKOS015906744 | (R)-3-Hydroxy-cyclohexanone | P16037 | Q27102476 | (S)-3-hyd

사양 및 순도

≥97%

보관 조건

Store at 2-8°C

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥97%

이름과 식별자

• 정식 스마일: C1CC(CC(=O)C1)O
• IUPAC Name: 3-hydroxycyclohexan-1-one
• InChIKey: TWEVQGUWCLBRMJ-UHFFFAOYSA-N
• INCHI: 1S/C6H10O2/c7-5-2-1-3-6(8)4-5/h5,7H,1-4H2
• 이성체 SMILES: C1CC(CC(=O)C1)O
• 분자량: 114.14
• Reaxy-Rn: 2237703
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2237703&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclic alcohols and derivatives
• Alternative Parents: Secondary alcohols Cyclic ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic alcohol - Cyclic ketone - Secondary alcohol - Ketone - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group.
• External Descriptors: a small molecule

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

• 분자량: 114.140 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 114.068 Da
• Monoisotopic Mass: 114.068 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 98.700
• 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