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Home> Hot Product Listed 2   > 2-Methylene-3-oxocyclopentanecarboxylic acid
2199-89-5 structure

2-Methylene-3-oxocyclopentanecarboxylic acid

Iupac Name:ethyl 6,8-dibromo-2-oxochromene-3-carboxylate
CAS No.:2199-89-5
Molecular Weight:376
Molecular Formula:C7H10O4 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C12H8Br2O4/c1-2-17-11(15)8-4-6-3-7(13)5-9(14)10(6)18-12(8)16/h3-5H,2H2,1H3
InChkey
FERPJUOPTLEUDM-UHFFFAOYSA-N
Canonical Smiles
CCOC(=O)C1=CC2=CC(=CC(=C2OC1=O)Br)Br
Properties
Melting Point
171 °C
Vapour
5.33E-09mmHg at 25°C
Refractive Index
1.619
Safety and Handling
Safety

Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of Na2O.

Specification

 Sodium sarkomycin with cas registry number of 874-21-5 is also known as Sarkomycin B*,sodium salt ; Sarkomycin,sodium salt ; Cyclopentanecarboxylic acid,2-methylene-3-oxo-,sodium salt ; Sarkomycin . Sodium sarkomycin is a metabolite of streptomyces erythrochromogehes . Sodium sarkomycin with cas registry number of 874-21-5 is used as an antitumor agent . Sodium sarkomycin can be prepared from the corresponding tertiary amines.

Computational chemical data
  • Molecular Weight:376g/mol
  • Molecular Formula:C7H10O4
  • Compound Is Canonicalized:True
  • Exact Mass:375.877
  • Monoisotopic Mass:373.879
  • Complexity:394
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Heavy Atom Count:18
  • 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
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