Ethyl 6-Hydroxyoct-7-Enoate

CAT: 1299-RG-A261178-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A261178-01Size:10 mg

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CAS Number

2975-17-9

Synonyms

Ethyl 6-hydroxyoct-7-enoate

Molecular Formula

C10H18O3

Molecular Weight

186.25

Target Alternative Name

Thioctic Acid

Product Name Synonym

Ethyl 6-hydroxyoct-7-enoate

Chemical Information

Thioctic Acid Impurity 48

CAS Number	2975-17-9
PubChem CID	164518727
IUPAC Name	ethyl 6-hydroxyoct-7-enoate
Molecular Formula	C10H18O3
Molecular Weight	186.25
XLogP	1.5
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Heavy Atom Count	13
Formal Charge	0
Complexity	154

SMILES

CCOC(=O)CCCCC(C=C)O

InChI

InChI=1S/C10H18O3/c1-3-9(11)7-5-6-8-10(12)13-4-2/h3,9,11H,1,4-8H2,2H3

InChIKey

MHXCUKSETMYAEI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2975-17-9

CID: 164518727

Formula: C10H18O3

MW: 186.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.25
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	186.125594432
Monoisotopic Mass	186.125594432
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	154
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RG-E140528-01	Ethyl 6-chlorooct-7-enoate
RG-A262004-01	Ethyl Oct-7-Enoate
RG-A261585-01	Ethyl But-3-Enoate
RG-E082550-01	Ethyl Hexadec-9-Enoate
RG-A260135-01	Ethyl 3- (Dimethylamino) But-2-Enoate
RG-M082579-01	Ethyl (Z) -Icos-11-Enoate
RG-A263163-01	Ethyl (E) -3-Ethoxybut-2-Enoate
RG-A261756-01	Ethyl (E) -3-Acetamidobut-2-Enoate
RG-E200800-01	Ethyl (Z) -3-Aminobut-2-Enoate
RG-E200843-01	(E) -Ethyl 4-Oxobut-2-Enoate