ethyl 6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-carboxylate

ethyl 6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-carboxylate

CAS: 1260776-58-6

Formula: C14H18O2

SMILES: CCOC(=O)C1CCCCC2=C1C=CC=C2

IUPAC: ethyl 6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-carboxylate

InChI: InChI=1/C14H18O2/c1-2-16-14(15)13-10-6-4-8-11-7-3-5-9-12(11)13/h3,5,7,9,13H,2,4,6,8,10H2,1H3

Composition: C (77.03%), H (8.31%), O (14.66%)

Molar Mass: 218.296

Atom Count: 34

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	218.13067982
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	IVYXCOGXIFAYMT-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.9
Topological Polar Surface Area	26.3
Polarizability	25.02
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1260776-58-6		$1,700.00-$3,190.00$1,700.00$2,530.00$3,190.00