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2-Methoxyphenyl Phenyl Ether

CAT: 0572-TRC-M224183-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M224183-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1695-04-1
Hazard Statement
Causes serious eye irritation; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
COc1ccccc1Oc2ccccc2
Molecular Formula
C13 H12 O2
Molecular Weight
200.233
InChI
InChI=1S/C13H12O2/c1-14-12-9-5-6-10-13(12)15-11-7-3-2-4-8-11/h2-10H,1H3
Additionnal Information
IUPAC name: 1-methoxy-2-phenoxybenzene
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Methoxyphenyl phenyl ether
CAS Number1695-04-1
PubChem CID248758
IUPAC Name1-methoxy-2-phenoxybenzene
Molecular FormulaC13H12O2
Molecular Weight200.23
XLogP2.9
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity175
SMILES
COC1=CC=CC=C1OC2=CC=CC=C2
InChI
InChI=1S/C13H12O2/c1-14-12-9-5-6-10-13(12)15-11-7-3-2-4-8-11/h2-10H,1H3
InChIKey
ROXWCQWMXHSVNZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methoxyphenyl phenyl ether
CAS: 1695-04-1
CID: 248758
Formula: C13H12O2
MW: 200.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight200.23
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass200.083729621
Monoisotopic Mass200.083729621
Topological Polar Surface Area18.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity175
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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