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Substance Name: Aromaticin
RN: 5945-42-6
InChIKey: OSSDUQKWVVZIGP-IXNALTGBSA-N

Molecular Formula

  • C15-H18-O3

Molecular Weight

  • 246.3042
 
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Names and Synonyms

Results Name

  • Aromaticin

Synonyms

  • Aromaticin
  • NSC 136049

Systematic Name

  • Azuleno(6,5-b)furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4a,8-dimethyl-3-methylene-, (3aR-(3aalpha,4abeta,7aalpha,8alpha,9abeta))-

Registry Numbers

CAS Registry Number

  • 5945-42-6

System Generated Number

  • 0005945426

Structure Descriptors

InChI

1S/C15H18O3/c1-8-6-12-10(9(2)14(17)18-12)7-15(3)11(8)4-5-13(15)16/h4-5,8,10-12H,2,6-7H2,1,3H3/t8-,10-,11+,12?,15+/m1/s1

InChIKey

OSSDUQKWVVZIGP-IXNALTGBSA-N

Smiles

C[C@@H]1CC2[C@H](C[C@]3([C@H]1C=CC3=O)C)C(=C)C(=O)O2

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.17 (none)   EXP
Water Solubility 833 mg/L 25 EST
Vapor Pressure 3.35E-06 mm Hg 25 EST
Henry's Law Constant 3.78E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.91E-11 cm3/molecule-sec 25 EST

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