4,6-dihydrofuro[3,4-b]furan-3-carboxylic acid - ≥97% , CAS No.164797-59-5

CAS: 164797-59-5 Cat. No.: D630129 Molecular Weight: 154.12 EC Number: 155-605-3 PubChem CID: 15201043

GRADE & PURITY ≥97%

Synonyms

164797-59-5 | 4,6-dihydrofuro[3,4-b]furan-3-carboxylic acid | Furo[3,4-b]furan-3-carboxylic acid, 4,6-dihydro- (9CI) | SCHEMBL16415937 | AKOS027399775 | 4,6-dihydrofuro[3,4-b]furan-3-carboxylicacid | F89537 | EN300-1657663 | 4H,6H-FURO[2,3-C]FURAN-3-CARBO

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

164797-59-5 | 4, 6-dihydrofuro[3, 4-b]furan-3-carboxylic acid | Furo[3, 4-b]furan-3-carboxylic acid, 4, 6-dihydro- (9CI) | SCHEMBL16415937 | AKOS027399775 | 4, 6-dihydrofuro[3, 4-b]furan-3-carboxylicacid | F89537 | EN300-1657663 | 4H, 6H-FURO[2, 3-C]FURAN-3-CARBO

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1C2=C(CO1)OC=C2C(=O)O
• IUPAC Name: 4,6-dihydrofuro[3,4-b]furan-3-carboxylic acid
• InChIKey: SARLSCVUZGILKG-UHFFFAOYSA-N
• INCHI: 1S/C7H6O4/c8-7(9)5-2-11-6-3-10-1-4(5)6/h2H,1,3H2,(H,8,9)
• Isomeric SMILES: C1C2=C(CO1)OC=C2C(=O)O
• PubChem CID: 15201043
• Molecular Weight: 154.12

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Furofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Furofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Furofurans
• Alternative Parents: Furoic acids Furan-3-carboxylic acids Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Furoic acid or derivatives - Furan-3-carboxylic acid - Furan-3-carboxylic acid or derivatives - Furoic acid - Furofuran - Heteroaromatic compound - Furan - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Oxacycle - Ether - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as furofurans. These are organic compounds containing a two furan rings fused to each other. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
• 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

• Molecular Weight: 154.120 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 154.027 Da
• Monoisotopic Mass: 154.027 Da
• Topological Polar Surface Area: 59.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 179.000
• 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