Simonellite

CAS Registry Number®

27530-79-6
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CAS Name

Simonellite

Molecular Formula

C19H24

Molecular Mass

252.39

Cite this Page

Simonellite.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=27530-79-6 (retrieved 2024-04-19) (CAS RN: 27530-79-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    59-60 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3

InChIKey

InChIKey=XZDCNNOTTUOTGE-UHFFFAOYSA-N

SMILES

CC1(C)C2=C(C=3C(C=C2)=CC(C(C)C)=CC3)CCC1

Canonical SMILES

C=1C=C2C(=C3C=CC(=CC13)C(C)C)CCCC2(C)C

Other Names for this Substance

  • Phenanthrene, 1,2,3,4-tetrahydro-1,1-dimethyl-7-(1-methylethyl)-
  • Phenanthrene, 1,2,3,4-tetrahydro-7-isopropyl-1,1-dimethyl-
  • 1,2,3,4-Tetrahydro-1,1-dimethyl-7-(1-methylethyl)phenanthrene
  • Simonellite

Deleted or Replaced CAS Registry Numbers

12199-36-9, 12423-85-7, 22460-21-5

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