5-Hydroxynorbornane 2,6-Lactone - ≥98%(GC) , CAS No.92343-46-9

CAS: 92343-46-9 Cat. No.: H157246 Molecular Weight: 154.17 EC Number: 808-149-0

GRADE & PURITY ≥98%(GC)

Synonyms

2-Hydroxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one, 98% | EN300-214446 | NSC311957 | NSC-311957 | AKOS006345768 | 2-hydroxy-4-oxatricyclo[4.2.1.0,3,7]nonan-5-one | FD14039 | 6-Hydroxyhexahydro-2H-3,5-methanocyclopenta[b]furan-2-one | SB67050 | SR-01000391919

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-Hydroxy-4-oxatricyclo[4.2.1.03, 7]nonan-5-one, 98% | EN300-214446 | NSC311957 | NSC-311957 | AKOS006345768 | 2-hydroxy-4-oxatricyclo[4.2.1.0, 3, 7]nonan-5-one | FD14039 | 6-Hydroxyhexahydro-2H-3, 5-methanocyclopenta[b]furan-2-one | SB67050 | SR-01000391919

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488189725
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189725
• Canonical Smiles: C1C2CC3C1C(C2O)OC3=O
• IUPAC Name: 2-hydroxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one
• InChIKey: SCDJKGVPVLZLED-UHFFFAOYSA-N
• INCHI: 1S/C8H10O3/c9-6-3-1-4-5(2-3)8(10)11-7(4)6/h3-7,9H,1-2H2
• Isomeric SMILES: C1C2CC3C1C(C2O)OC3=O
• Molecular Weight: 154.17
• Reaxy-Rn: 128307
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=128307&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Terpene lactones

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Terpene lactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Terpene lactones
• Alternative Parents: Monoterpenoids Oxepanes Gamma butyrolactones Tetrahydrofurans Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Terpene lactone - Norbornane monoterpenoid - Monoterpenoid - Caprolactone - Oxepane - Gamma butyrolactone - Cyclic alcohol - Tetrahydrofuran - Carboxylic acid ester - Lactone - Secondary alcohol - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Carbonyl group - Organooxygen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone 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

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Melt Point(°C): 156-160°C
• Molecular Weight: 154.160 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 154.063 Da
• Monoisotopic Mass: 154.063 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 225.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 5
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1