Ethyl β-hydroxy-α, α-dimethylcyclopropanepropanoate

CAT: 0127-OR1081588-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1081588-01Size:250 mg

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CAS Number

1249552-11-1

Purity

95%

Smiles

C (C (C (=O) OCC) (C) C) (O) C1CC1

Chemical Information

Ethyl beta-hydroxy-alpha,alpha-dimethylcyclopropanepropanoate

CAS Number	1249552-11-1
PubChem CID	62398398
IUPAC Name	ethyl 3-cyclopropyl-3-hydroxy-2,2-dimethylpropanoate
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	5
Heavy Atom Count	13
Formal Charge	0
Complexity	194

SMILES

CCOC(=O)C(C)(C)C(C1CC1)O

InChI

InChI=1S/C10H18O3/c1-4-13-9(12)10(2,3)8(11)7-5-6-7/h7-8,11H,4-6H2,1-3H3

InChIKey

LMTWBGZBEDAIEZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1249552-11-1

CID: 62398398

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	5
Exact Mass	186.125594432
Monoisotopic Mass	186.125594432
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	194
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
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OR1081557-01	Ethyl β-hydroxy-α, α-dimethylcyclopentanepropanoate
OR1098795-01	Ethyl β-hydroxy-β-methylcyclopropanepropanoate
OR1079862-01	Ethyl 1-hydroxy-α, α-dimethylcyclohexaneacetate
OR1094413-01	Ethyl 1-hydroxy-α, α-dimethylcyclopentaneacetate
OR1094412-01	Ethyl 1-hydroxy-α, α-dimethylcyclobutaneacetate
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BIPG1440-01	Hydroxy-PEG3-ethyl ester

Catalog	Name
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