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Isopropyl Propyl Ether

CAT: 0572-TRC-I748500-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-I748500-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
627-08-7
Hazard Statement
Highly flammable liquid and vapour; UN number: UN1993; Packing Group: II
Smiles
CCCOC(C)C
Molecular Formula
C6 H14 O
Molecular Weight
102.175
InChI
InChI=1S/C6H14O/c1-4-5-7-6(2)3/h6H,4-5H2,1-3H3
Additionnal Information
IUPAC name: 1-propan-2-yloxypropane
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Propane, 1-(1-methylethoxy)-
CAS Number627-08-7
PubChem CID12304
IUPAC Name1-propan-2-yloxypropane
Molecular FormulaC6H14O
Molecular Weight102.17
XLogP1.8
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity33
SMILES
CCCOC(C)C
InChI
InChI=1S/C6H14O/c1-4-5-7-6(2)3/h6H,4-5H2,1-3H3
InChIKey
JIEJJGMNDWIGBJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propane, 1-(1-methylethoxy)-
CAS: 627-08-7
CID: 12304
Formula: C6H14O
MW: 102.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight102.17
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass102.104465066
Monoisotopic Mass102.104465066
Topological Polar Surface Area9.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity33.2
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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