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Ethyl 2- (cyclopropylmethoxy) acetate

CAT: 0127-OR1073237-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1073237-01Size:100 mg
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CAS Number
1152592-10-3
MDL Number
MFCD10694374
Purity
95%
Smiles
O=C(OCC)COCC1CC1

Chemical Information

Ethyl 2-(cyclopropylmethoxy)acetate
CAS Number1152592-10-3
PubChem CID43119684
IUPAC Nameethyl 2-(cyclopropylmethoxy)acetate
Molecular FormulaC8H14O3
Molecular Weight158.19
XLogP1.1
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count11
Formal Charge0
Complexity129
SMILES
CCOC(=O)COCC1CC1
InChI
InChI=1S/C8H14O3/c1-2-11-8(9)6-10-5-7-3-4-7/h7H,2-6H2,1H3
InChIKey
BJIYEGHTLPXBAE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 2-(cyclopropylmethoxy)acetate
CAS: 1152592-10-3
CID: 43119684
Formula: C8H14O3
MW: 158.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight158.19
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass158.094294304
Monoisotopic Mass158.094294304
Topological Polar Surface Area35.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity129
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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