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{4-[2- (2-Methoxyethoxy) ethoxy]phenyl}methanol

CAT: 0926-SQA71113-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-SQA71113-01Size:50 mg
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CAS Number
392711-13-6
MDL Number
MFCD19672593
Smiles
COCCOCCOC1=CC=C (C=C1) CO
Molecular Formula
C12H18O4
Molecular Weight
226.27 g/mol
Controlled
No

Chemical Information

{4-[2-(2-Methoxyethoxy)ethoxy]phenyl}methanol
CAS Number392711-13-6
PubChem CID20684020
IUPAC Name[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methanol
Molecular FormulaC12H18O4
Molecular Weight226.27
XLogP0.7
Topological Polar Surface Area47.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count16
Formal Charge0
Complexity155
SMILES
COCCOCCOC1=CC=C(C=C1)CO
InChI
InChI=1S/C12H18O4/c1-14-6-7-15-8-9-16-12-4-2-11(10-13)3-5-12/h2-5,13H,6-10H2,1H3
InChIKey
MGCDWDXBVVTXJH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of {4-[2-(2-Methoxyethoxy)ethoxy]phenyl}methanol
CAS: 392711-13-6
CID: 20684020
Formula: C12H18O4
MW: 226.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight226.27
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass226.12050905
Monoisotopic Mass226.12050905
Topological Polar Surface Area47.9 Ų
Heavy Atom Count16
Formal Charge0
Complexity155
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