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(2- (1-Ethoxyethoxy) ethyl) benzene

CAT: 1410-M17723-01Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M17723-01Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Used as spice.
CAS Number
2556-10-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
194.27
Molecular Formula
C12H18O2
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Benzene, (2-(1-ethoxyethoxy)ethyl)-
CAS Number2556-10-7
PubChem CID102849
IUPAC Name2-(1-ethoxyethoxy)ethylbenzene
Molecular FormulaC12H18O2
Molecular Weight194.27
XLogP2.8
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count14
Formal Charge0
Complexity130
SMILES
CCOC(C)OCCC1=CC=CC=C1
InChI
InChI=1S/C12H18O2/c1-3-13-11(2)14-10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
InChIKey
QQDGMPOYFGNLMT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzene, (2-(1-ethoxyethoxy)ethyl)-
CAS: 2556-10-7
CID: 102849
Formula: C12H18O2
MW: 194.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.27
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass194.130679813
Monoisotopic Mass194.130679813
Topological Polar Surface Area18.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity130
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

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