3-Furancarboxylic a...

3-Furancarboxylic acid,4,5-dihydro-2-methyl-4-oxo-5-(phenylmethylene)-, ethyl este 53252-49-6

3-Furancarboxylic acid,4,5-dihydro-2-methyl-4-oxo-5-(phenylmethylene)-, ethyl este 53252-49-6

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
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Keywords

3-Furancarboxylic acid,4,5-dihydro-2-methyl-4-oxo-5-(phenylmethylene)-, ethyl ester 3-Furancarboxylic acid,4,5-dihydro-2-methyl-4-oxo-5-(phenylmethylene)-, ethyl este 53252-49-6

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

Identification and Related Records
【Name】
3-Furancarboxylic acid,4,5-dihydro-2-methyl-4-oxo-5-(phenylmethylene)-, ethyl ester
【Iupac name】
ethyl (5E)-5-benzylidene-2-methyl-4-oxofuran-3-carboxylate
【CAS Registry number】
53252-49-6
【Synonyms】
NSC 287480
【Molecular Formula】
C15H14 O4 (Products with the same molecular formula)
【Molecular Weight】
258.2693
【Inchi】
InChI=1/C15H14O4/c1-3-18-15(17)13-10(2)19-12(14(13)16)9-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3/b12-9-
【Canonical SMILES】
CCOC(=O)C1=C(OC(=CC2=CC=CC=C2)C1=O)C
【Isomers smiles】
CCOC(=O)C1=C(O/C(=C/C2=CC=CC=C2)/C1=O)C
Chemical and Physical Properties
【Density】
1.245g/cm3
【Boiling Point】
441.8°Cat760mmHg
【Refractive Index】
1.597
【Flash Point】
198.2°C
【Computed Properties】
Molecular Weight:258.26926 [g/mol]
Molecular Formula:C15H14O4
XLogP3-AA:3
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:4
Tautomer Count:4
Exact Mass:258.089209
MonoIsotopic Mass:258.089209
Topological Polar Surface Area:52.6
Heavy Atom Count:19
Formal Charge:0
Complexity:439
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:1
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Anion Count:1
Feature 3D Ring Count:2
Effective Rotor Count:4.2
Conformer Sampling RMSD:0.6
CID Conformer Count:21

 

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