pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene

• ChemBase ID: 156268
• Molecular Formular: C20H12
• Molecular Mass: 252.30928
• Monoisotopic Mass: 252.09390038
• SMILES: c1ccc2c(c1)cc1cccc3c1c2c1c3cccc1
• Canonical SMILES: c1ccc2c(c1)c1c3c2cccc3cc2c1cccc2
• InChI: InChI=1S/C20H12/c1-2-8-15-13(6-1)12-14-7-5-11-17-16-9-3-4-10-18(16)20(15)19(14)17/h1-12H
• InChIKey: OQDXASJSCOTNQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentacyclo[10.7.1.0^2,^7.0^8,^2^0.0^1^4,^1^9]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
• IUPAC Traditional name: pentacyclo[10.7.1.0^2,^7.0^8,^2^0.0^1^4,^1^9]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
• Synonyms: Benzo[a]fluoranthene; 苯并[a]荧蒽

Database IDs

• CAS Number: 203-33-8
• MDL Number: MFCD00215890
• Beilstein Number: 1957846
• PubChem SID: 162250406
• PubChem CID: 9146

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.273404
• LogD (pH = 7.4): 5.273404
• Log P: 5.273404
• Molar Refractivity: 83.1728 cm^3
• Polarizability: 37.74142 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Temperature: 2-8°C

Product Information

• Grade: BCR® certified Reference Material
• Empirical Formula (Hill Notation): C20H12

DETAILS

Sigma Aldrich - BCR097

Legal Information
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