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Substance Name: Tremetone
RN: 4976-25-4
UNII: 451MA27V7H
InChIKey: UVYUUQGGBNKRFU-CYBMUJFWSA-N

Note

  • From Isocoma sp.

Molecular Formula

  • C13-H14-O2

Molecular Weight

  • 202.252
 
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Names and Synonyms

Name of Substance

  • Tremetone

Synonyms

  • AI3-44563
  • NSC 247531
  • Tremeton
  • Tremetone
  • UNII-451MA27V7H

Systematic Names

  • Ethanone, 1-(2,3-dihydro-2-(1-methylethenyl)-5-benzofuranyl)-, (R)- (9CI)
  • Ketone, 2,3-dihydro-2-isopropenyl-5-benzofuranyl methyl (8CI)

Registry Numbers

CAS Registry Number

  • 4976-25-4

FDA UNII

  • 451MA27V7H

System Generated Number

  • 0004976254

Structure Descriptors

InChI

1S/C13H14O2/c1-8(2)13-7-11-6-10(9(3)14)4-5-12(11)15-13/h4-6,13H,1,7H2,2-3H3/t13-/m1/s1

InChIKey

UVYUUQGGBNKRFU-CYBMUJFWSA-N

Smiles

O1c2ccc(C(=O)C)cc2C[C@@H]1C(=C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
log P (octanol-water) 3.510 (none)   EST
Atmospheric OH Rate Constant 8.56E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.