(8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid

(8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid

CAS: 71748-58-8

Formula: C20H26O3

SMILES: CC(C=CC1=C(C)C(=O)CCC1(C)C)=CC=CC(C)=CC(O)=O

IUPAC: (8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid

InChI: InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13H,11-12H2,1-5H3,(H,22,23)/b8-6?,10-9+,14-7?,15-13?

Composition: C (76.40%), H (8.34%), O (15.27%)

Molar Mass: 314.425

Atom Count: 49

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	314.188194697
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GGCUJPCCTQNTJF-WZCWODFFSA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.48
Topological Polar Surface Area	54.37
Polarizability	36.22
Ring Count	1
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	71748-58-8		$2,368.08$2,368.08