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Hexabenzo[bc,ef,hi,kl,no,qr]coronene

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Name

Hexabenzo[bc,ef,hi,kl,no,qr]coronene

EINECS
CAS No. 190-24-9 Density 1.633 g/cm3
Solubility Melting Point
Formula C42H18 Boiling Point
Molecular Weight 522.59 Flash Point
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 190-24-9 (Hexabenzo[bc,ef,hi,kl,no,qr]coronene) Hazard Symbols
Synonyms

1,12;4,5;8,9;10,11-Hexabenzocoronene;Hexa-peri-benzocoronene;Hexabenzocoronene;NSC 91579;Superbenzene;1:12,2:3,4:5,6:7, 8:9,10:11-Hexabenzocoronene;

 

Hexabenzo[bc,ef,hi,kl,no,qr]coronene Specification

The Hexabenzo[bc,ef,hi,kl,no,qr]coronene, with the CAS registry number 190-24-9, is also known as 1:12,2:3,4:5,6:7, 8:9,10:11-Hexabenzocoronene. This chemical's molecular formula is C42H18 and molecular weight is 522.59.What's more, its systematic name is Hexabenzo[bc,ef,hi,kl,no,qr]coronene.

Physical properties about Hexabenzo[bc,ef,hi,kl,no,qr]coronene are: (1)ACD/LogP: 12.55; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 12.55; (4)ACD/LogD (pH 7.4): 12.55; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 2.402; (13)Molar Refractivity: 196.46 cm3; (14)Molar Volume: 320 cm3; (15)Polarizability: 77.88×10-24 cm3; (16)Surface Tension: 111 dyne/cm; (17)Density: 1.633 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: c%11%13c1cccc4c1c3c%12c9c2c8c(c7c6c2c3c5c4cccc5c6ccc7)cccc8c%10c9c(ccc%10)c(c%11%12)ccc%13
(2)InChI: InChI=1/C42H18/c1-7-19-21-9-2-11-23-25-13-4-15-27-29-17-6-18-30-28-16-5-14-26-24-12-3-10-22-20(8-1)31(19)37-38(32(21)23)40(34(25)27)42(36(29)30)41(35(26)28)39(37)33(22)24/h1-18H
(3)InChIKey: IVJZBYVRLJZOOQ-UHFFFAOYAU

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