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2- ((4-Methoxybenzyl) Oxy) Ethanol

CAT: 0127-OR1028474-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1028474-01Size:100 mg
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CAS Number
13807-89-1
Synonyms
2-[ (4-methoxyphenyl) methoxy]ethanol
Purity
99%
Smiles
COC1=CC=C(C=C1)COCCO

Chemical Information

2-((4-Methoxyphenyl)methoxy)ethan-1-ol
CAS Number13807-89-1
PubChem CID10058160
IUPAC Name2-[(4-methoxyphenyl)methoxy]ethanol
Molecular FormulaC10H14O3
Molecular Weight182.22
XLogP0.9
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count13
Formal Charge0
Complexity119
SMILES
COC1=CC=C(C=C1)COCCO
InChI
InChI=1S/C10H14O3/c1-12-10-4-2-9(3-5-10)8-13-7-6-11/h2-5,11H,6-8H2,1H3
InChIKey
PHXZOQVBYCJBHO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((4-Methoxyphenyl)methoxy)ethan-1-ol
CAS: 13807-89-1
CID: 10058160
Formula: C10H14O3
MW: 182.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight182.22
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass182.094294304
Monoisotopic Mass182.094294304
Topological Polar Surface Area38.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity119
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