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2-(Oxiranylmethoxy)-benzeneethanol

CAT: 0572-TRC-O846885-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-O846885-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
160951-57-5
Synonyms
2-((2-(2-Methoxyethyl)phenoxy)methyl)oxirane
Hazard Statement
Harmful if swallowed
Smiles
COCCc1ccccc1OCC2CO2
Molecular Formula
C12H16O3
Molecular Weight
208.25
Shipping Conditions
Room Temperature

Chemical Information

2-(2-(Oxiran-2-ylmethoxy)phenyl)ethanol
CAS Number160951-57-5
PubChem CID10104081
IUPAC Name2-[2-(oxiran-2-ylmethoxy)phenyl]ethanol
Molecular FormulaC11H14O3
Molecular Weight194.23
XLogP1.2
Topological Polar Surface Area42
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count14
Formal Charge0
Complexity172
SMILES
C1C(O1)COC2=CC=CC=C2CCO
InChI
InChI=1S/C11H14O3/c12-6-5-9-3-1-2-4-11(9)14-8-10-7-13-10/h1-4,10,12H,5-8H2
InChIKey
QNDZOBZHSUMVSM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-(Oxiran-2-ylmethoxy)phenyl)ethanol
CAS: 160951-57-5
CID: 10104081
Formula: C11H14O3
MW: 194.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.23
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass194.094294304
Monoisotopic Mass194.094294304
Topological Polar Surface Area42 Ų
Heavy Atom Count14
Formal Charge0
Complexity172
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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Alternative Products

CatalogName
0188834- (2-Oxiranylmethoxy) benzeneethanol
MBS6046494-014-(2-Oxiranylmethoxy)benzeneethanol
MBS6098080-014-(2-Oxiranylmethoxy-d5)benzeneethanol
sc-2166654- (2-Oxiranylmethoxy-d5) benzeneethanol
sc-4778612- (2-Oxiranylmethoxy) benzonitrile
EFA97351-012,2-difluoro- benzeneethanol
sc-2992244- (2-Oxiranylmethoxy) benzenecarbonitrile
sc-4778604- (2-Oxiranylmethoxy) benzeneacetonitrile
sc-4841774- (2-Methylpropyl) benzeneethanol
413233-012- (2-Oxiranylmethoxy) benzonitrile-D5

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