(S)-(-)-Tetrahydrofuran-2-carboxylic Acid - ≥98%(GC) , CAS No.87392-07-2

CAS: 87392-07-2 Cat. No.: S161338 Molecular Weight: 116.12 EC Number: 618-003-6 PubChem CID: 446666

GRADE & PURITY ≥98%(GC)

Synonyms

UJJLJRQIPMGXEZ-BYPYZUCNSA-N | NCGC00093907-01 | 7-Dipropylamino-5,6,7,8-tetrahydro-naphthalen-1-ol ((R)-OH-DPAT) | DTXSID70236319 | L-162 313 | (S)-Tetrahydrofuran-2-carboxylicacid | T1741 | (2s)-tetrahydro-2-furancarboxylic acid | EN300-104395 | (S)-tetr

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

UJJLJRQIPMGXEZ-BYPYZUCNSA-N | NCGC00093907-01 | 7-Dipropylamino-5, 6, 7, 8-tetrahydro-naphthalen-1-ol ((R)-OH-DPAT) | DTXSID70236319 | L-162 313 | (S)-Tetrahydrofuran-2-carboxylicacid | T1741 | (2s)-tetrahydro-2-furancarboxylic acid | EN300-104395 | (S)-tetr

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488189846
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189846
• Canonical Smiles: C1CC(OC1)C(=O)O
• IUPAC Name: (2S)-oxolane-2-carboxylic acid
• InChIKey: UJJLJRQIPMGXEZ-BYPYZUCNSA-N
• INCHI: 1S/C5H8O3/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)/t4-/m0/s1
• Isomeric SMILES: C1C[C@H](OC1)C(=O)O
• WGK Germany: 3
• PubChem CID: 446666
• Molecular Weight: 116.12
• Reaxy-Rn: 4658738

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Tetrahydrofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Tetrahydrofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrahydrofurans
• Alternative Parents: Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tetrahydrofuran - Oxacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen.
• External Descriptors: tetrahydrofurancarboxylic 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

Chemical and Physical Properties

• Refractive Index: 1.459
• Specific Rotation[α]: [α]20/D -3° in methanol
• Flash Point(°F): 230 °F
• Flash Point(°C): 139°C
• Boil Point(°C): 244-251 °C
• Molecular Weight: 116.110 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 116.047 Da
• Monoisotopic Mass: 116.047 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 99.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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