Ethyl 4-formylcyclohexanecarboxylate

CAT: 0127-OR1032678-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1032678-01Size:100 mg

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CAS Number

174080-08-1

Purity

98%

Smiles

CCOC(=O)C1CCC(CC1)C=O

Chemical Information

(1R,4R)-Ethyl 4-formylcyclohexanecarboxylate

CAS Number	174080-08-1
PubChem CID	13548164
IUPAC Name	ethyl 4-formylcyclohexane-1-carboxylate
Molecular Formula	C10H16O3
Molecular Weight	184.23
XLogP	1.1
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	181

SMILES

CCOC(=O)C1CCC(CC1)C=O

InChI

InChI=1S/C10H16O3/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h7-9H,2-6H2,1H3

InChIKey

PRZDWMBBAYQZOR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 174080-08-1

CID: 13548164

Formula: C10H16O3

MW: 184.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.23
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	184.109944368
Monoisotopic Mass	184.109944368
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	181
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1040221-01	Ethyl trans-4-formylcyclohexanecarboxylate
OR83336-01	Methyl 4-formylcyclohexanecarboxylate
OR928143-01	Methyl trans-4-formylcyclohexanecarboxylate
OR1076443-01	Ethyl 4-ethyl-3-oxohexanoate
OR1068962-01	Ethyl 2-ethyl-4-oxocyclopentanecarboxylate
OR1089604-01	Ethyl 3-ethyl-4-formylbenzoate
OR1089356-01	Ethyl 4-ethyl-2-formylbenzoate
OR1089848-01	Ethyl 3-ethyl-4-isopropoxybenzoate
OR1060780-01	Ethyl 4-ethyl-3-oxooctanoate
OR1051532	Ethyl 1-ethyl-4-oxocyclohexanecarboxylate

Catalog	Name
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