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Home> Hot Product Listed 2   > 2(3H)-Furanone, dihydro-3-[(phenylmethoxy)methylene]-, (E)-
3009-13-0 structure

2(3H)-Furanone, dihydro-3-[(phenylmethoxy)methylene]-, (E)-

Iupac Name:1-[(3-nitrophenyl)methoxymethyl]pyridin-1-ium;chloride
CAS No.:3009-13-0
Molecular Weight:280.708
Molecular Formula:C31H21F2N9O10S3 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C13H13N2O3.ClH/c16-15(17)13-6-4-5-12(9-13)10-18-11-14-7-2-1-3-8-14;/h1-9H,10-11H2;1H/q+1;/p-1
InChkey
BITDLWAQPKSXTF-UHFFFAOYSA-M
Canonical Smiles
C1=CC=[N+](C=C1)COCC2=CC(=CC=C2)[N+](=O)[O-].[Cl-]
Safety and Handling
Risk Statements
22
Safety Statements
Hazard Codes XnRisk Statements 22Safety Statements 24/25WGK Germany 3
Reach Info
Computational chemical data
  • Molecular Weight:280.708g/mol
  • Molecular Formula:C31H21F2N9O10S3
  • Compound Is Canonicalized:True
  • Exact Mass:280.061
  • Monoisotopic Mass:280.061
  • Complexity:262
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:58.9A^2
  • Heavy Atom Count:19
  • 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:2
  • CACTVS Substructure Key Fingerprint: AAADccBzMAAEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHgAEAAAADAjhmgY8wJMcVACh AjRnRwCCgCAxAiAo2CA4bJoIJuLAsZmMMAhkwAHI6AewwCAOAAAAQAAAAAAAAACAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:0571-83715115
  • Fax:0571-83715335
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  • Tel:+1-(281)-441-4400
  • Fax:+1-(281)-441-4409
 
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