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Home> Hot Product Listed M   > Methanone,3,4-thiophenediylbis[2-thienyl- (9CI)
615-12-3 structure

Methanone,3,4-thiophenediylbis[2-thienyl- (9CI)

Iupac Name:3-methylbutyl furan-2-carboxylate
CAS No.:615-12-3
Molecular Weight:182.219
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

(thiophen-2-yl)[4-(thiophene-2-carbonyl)thiophen-3-yl]methanone [4-(thiophene-2-carbonyl)thiophen-3-yl]-thiophen-2-ylmethano [4-(thiophene-2-carbonyl)thiophen-3-yl]-thiophen-2-ylmethanone AC1L7S4Y DTXSID70311317 HE336079 NSC 241143 nsc241143 nsc-241143

Inchi
InChI=1S/C10H14O3/c1-8(2)5-7-13-10(11)9-4-3-6-12-9/h3-4,6,8H,5,7H2,1-2H3
InChkey
FPBZWZKAUPNMMV-UHFFFAOYSA-N
Canonical Smiles
CC(C)CCOC(=O)C1=CC=CO1
Properties
Density
1.467
Boiling Point
229.7°Cat760mmHg
Refractive Index
1.465
Flash Point
179.4°C
Computational chemical data
  • Molecular Weight:182.219g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.8
  • Exact Mass:182.094
  • Monoisotopic Mass:182.094
  • Complexity:166
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:39.4A^2
  • Heavy Atom Count:13
  • 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: AAADccBwMAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAABgAAAGgAAAAAADQSgkAIyDIAABECI AKjSiAICCAAkIAAIiAFGCMgNJjKENR6CGSCkwBEKqYaIJggIAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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