NIST-IUPAC Solubility Data Series

IUPAC-NIST Solubility Data Series, SRD 106

5-Methylbenzo[a]pyrene

CASRN: 31647-36-6
PubChem CID: 35861
IUPAC Name: 5-methylbenzo[a]pyrene
InChI: InChI=1S/C21H14/c1-13-11-16-7-4-6-14-9-10-18-17-8-3-2-5-15(17)12-19(13)21(18)20(14)16/h2-12H,1H3
InChIKey: JQANOYBJRYYFQI-UHFFFAOYSA-N
SMILES: CC1=CC2=CC=CC3=C2C4=C(C=C3)C5=CC=CC=C5C=C14

Systems

1

5-Methylbenzo[a]pyrene with Water 1

Davis, W. W.; Krahl, M. E.; Cloves, G. H. A.; J. Am. Chem. Soc. 1942, 64, 108-10.

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Date created: December 6, 2018 | Last updated: December 17, 2018 | Contact: data@nist.gov

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