CCRIS 3174

pentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-one

CAS: 80440-44-4

Molecular Formula	`C21H12O`
Molecular Weight	280.3 g/mol
LogP	5.6
Topological Polar Surface Area	17.1 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	1
Rotatable Bonds	0
Exact Mass	280.0888
Heavy Atoms	22
Complexity	455.0

Chemical Identifiers

CAS Number	80440-44-4
SMILES	`C1=CC=C2C(=C1)C=CC3=C2C(=O)C4=CC=CC5=C4C3=CC=C5`
InChIKey	`TZWFTLUWVSVWJE-UHFFFAOYSA-N`

📖 Product Overview

CCRIS 3174 (CAS: 80440-44-4) is a chemical compound with molecular formula C21H12O and molecular weight 280.3 g/mol. Its IUPAC systematic name is pentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-one. LogP 5.6 Topological Polar Surface Area 17.1 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 1 Rotatable Bonds 0 Exact Mass 280.0888 Heavy Atoms 22 Complexity 455.0 InChI Key: TZWFTLUWVSVWJE-UHFFFAOYSA-N. SMILES: C1=CC=C2C(=C1)C=CC3=C2C(=O)C4=CC=CC5=C4C3=CC=C5.

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