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Substance Name: Coronene
RN: 191-07-1
UNII: 7YY0X5XT1W
InChIKey: VPUGDVKSAQVFFS-UHFFFAOYSA-N

Molecular Formula

  • C24-H12

Molecular Weight

  • 300.3588
 

Classification Codes

Classification Codes

  • Mutation Data
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Name of Substance

  • Coronene

Synonyms

  • CCRIS 908
  • Coronene
  • Dibenzo(ghi,pqr)perylene
  • EINECS 205-881-7
  • Hexabenzobenzene
  • NSC 90725
  • UNII-7YY0X5XT1W

Systematic Name

  • Coronene

Superlist Name

  • Coronene

Registry Numbers

CAS Registry Number

  • 191-07-1

FDA UNII

  • 7YY0X5XT1W

System Generated Number

  • 0000191071

Structure Descriptors

InChI

InChI=1S/C24H12/c1-2-14-5-6-16-9-11-18-12-10-17-8-7-15-4-3-13(1)19-20(14)22(16)24(18)23(17)21(15)19/h1-12H

InChIKey

VPUGDVKSAQVFFS-UHFFFAOYSA-N

Smiles

c1cc2ccc3ccc4ccc5ccc6ccc1c7c6c5c4c3c27

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 437.3 deg C   EXP
Boiling Point 525 deg C   EXP
log P (octanol-water) 7.64 (none)   EXP
Water Solubility 1.40E-04 mg/L 25 EXP
Henry's Law Constant 2.12E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.00E-11 cm3/molecule-sec 25 EST

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