ethyl 1-acetyl-4-oxocyclohexane-1-carboxylate

ethyl 1-acetyl-4-oxocyclohexane-1-carboxylate

CAS: 72653-21-5

Formula: C11H16O4

SMILES: CCOC(=O)C1(CCC(=O)CC1)C(C)=O

IUPAC: ethyl 1-acetyl-4-oxocyclohexane-1-carboxylate

InChI: InChI=1S/C11H16O4/c1-3-15-10(14)11(8(2)12)6-4-9(13)5-7-11/h3-7H2,1-2H3

Composition: C (62.25%), H (7.60%), O (30.15%)

Molar Mass: 212.245

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	212.104858995
Formal Charge	0
FSP3	0.73
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	CBUZTWMDYDHENI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.77
Topological Polar Surface Area	60.44
Polarizability	21.23
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	72653-21-5		$97.10-$146.28$97.10$146.28