5-[2-(methoxycarbonyl)thiophen-3-yl]furan-2-carboxylic acid

1. Names and Identifiers

1.2 Synonyms: 2-Furancarboxylic acid, 5-[2-(methoxycarbonyl)-3-thienyl]-; 5-(2-(methoxycarbonyl)thiophen-3-yl)furan-2-carboxylic acid; 5-[2-(METHOXYCARBONYL)-3-THIENYL]-2-FUROIC ACID; RARECHEM AL BE 0309;

1.6 Inchi: InChI=1S/C11H8O5S/c1-15-11(14)9-6(4-5-17-9)7-2-3-8(16-7)10(12)13/h2-5H,1H3,(H,12,13)

2. Properties

3. Computed Properties

Molecular Weight：252.24g/mol
Molecular Formula：C₁₁H₈O₅S
Compound Is Canonicalized：True
Exact Mass：2.4
XLogP3-AA：252.00924453
Monoisotopic Mass：252.00924453
Complexity：319
Rotatable Bond Count：4
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：6
Topological Polar Surface Area：105
Heavy Atom Count：：17
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBwOABAAAAAAAAAAAAAAAAAASJAAAAAAAAAAAAAAAAB4AAAGgQACAAADASE2AKyDYAABkiMAqDSCAIDCIAkKBBIiBlGCMgNJjKkNB6CeSCkwBEruYfL7vTuAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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5. Realated Product Infomation

1. Names and Identifiers

2. Properties