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2- (Benzyloxy) ethanol

CAT: 0024-sc-256018Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-256018Size:5 g
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CAS Number
622-08-2

Chemical Information

2-(Benzyloxy) ethanol
CAS Number622-08-2
PubChem CID12141
IUPAC Name2-phenylmethoxyethanol
Molecular FormulaC9H12O2
Molecular Weight152.19
XLogP0.9
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity87
SMILES
C1=CC=C(C=C1)COCCO
InChI
InChI=1S/C9H12O2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKey
CUZKCNWZBXLAJX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Benzyloxy) ethanol
CAS: 622-08-2
CID: 12141
Formula: C9H12O2
MW: 152.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.19
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass152.083729621
Monoisotopic Mass152.083729621
Topological Polar Surface Area29.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity87.6
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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