3-Methylcholanthrene
CAS Registry Number®
56-49-5
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CAS Name
3-MethylcholanthreneMolecular Formula
C21H16Molecular Mass
268.35Cite this Page
3-Methylcholanthrene. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=56-49-5 (retrieved ) (CAS RN: 56-49-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
280 °C @ Press: 80 TorrMelting Point (1)
179 °CDensity (1)
1.28 g/cm³ @ Temp: 20 °C
Source(s)
- (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
Other Names and Identifiers
InChI
InChI=1S/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3
InChIKey
InChIKey=PPQNQXQZIWHJRB-UHFFFAOYSA-N
SMILES
CC1=C2C3=C(C=4C(C=C3C=C1)=C5C(=CC4)C=CC=C5)CC2
Canonical SMILES
C=1C=CC2=C(C1)C=CC3=C2C=C4C=CC(=C5C4=C3CC5)C
Other Names for this Substance
- Benz[j]aceanthrylene, 1,2-dihydro-3-methyl-
- Cholanthrene, 3-methyl-
- 1,2-Dihydro-3-methylbenz[j]aceanthrylene
- 20-MC
- 3-MC
Deleted or Replaced CAS Registry Numbers
345299-31-2
