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2-Cyclopropyl-2-ethoxyethan-1-ol

CAT: 0926-QZC50639-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-QZC50639-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1865506-39-3
MDL Number
MFCD30214138
Smiles
CCOC (CO) C1CC1
Molecular Formula
C7H14O2
Molecular Weight
130.18 g/mol
Controlled
No

Chemical Information

2-Cyclopropyl-2-ethoxyethan-1-ol
CAS Number1865506-39-3
PubChem CID126970888
IUPAC Name2-cyclopropyl-2-ethoxyethanol
Molecular FormulaC7H14O2
Molecular Weight130.18
XLogP0.6
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity79
SMILES
CCOC(CO)C1CC1
InChI
InChI=1S/C7H14O2/c1-2-9-7(5-8)6-3-4-6/h6-8H,2-5H2,1H3
InChIKey
HESXRWKUHPPYPX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Cyclopropyl-2-ethoxyethan-1-ol
CAS: 1865506-39-3
CID: 126970888
Formula: C7H14O2
MW: 130.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight130.18
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass130.099379685
Monoisotopic Mass130.099379685
Topological Polar Surface Area29.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity79
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes