1,4,5,8,9,10-hexahydroanthracene

• ChemBase ID: 137964
• Molecular Formular: C14H16
• Molecular Mass: 184.27684
• Monoisotopic Mass: 184.12520051
• SMILES: C1C=CCC2=C1CC1=C(C2)CC=CC1
• Canonical SMILES: C1=CCC2=C(C1)CC1=C(C2)CC=CC1
• InChI: InChI=1S/C14H16/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-4H,5-10H2
• InChIKey: LNRAWXJRDXDHJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4,5,8,9,10-hexahydroanthracene
• IUPAC Traditional name: 1,4,5,8,9,10-hexahydroanthracene
• Synonyms: 1,4,5,8,9,10-Hexahydroanthracene; 1,4,5,8,9,10-hexahydroanthracene; 1,4,5,8,9,10-六氢蒽

Database IDs

• CAS Number: 5910-28-1
• MDL Number: MFCD00001186
• PubChem SID: 162232223
• PubChem CID: 80011

CALCULATED PROPERTIES

• H Donor: 0
• LogD (pH = 5.5): 3.0439932
• LogD (pH = 7.4): 3.0439932
• Log P: 3.0439932
• Molar Refractivity: 64.0 cm^3
• Polarizability: 23.448837 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 0

PROPERTIES

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C14H16