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3-Phenoxytoluene

CAT: 0024-sc-231908Size: 100 mLDry Ice: NoHazardous: No
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CAT#:0024-sc-231908Size:100 mL
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CAS Number
3586-14-9

Chemical Information

3-Phenoxytoluene

structure given in first source

CAS Number3586-14-9
PubChem CID19165
IUPAC Name1-methyl-3-phenoxybenzene
Molecular FormulaC13H12O
Molecular Weight184.23
XLogP3.7
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity161
SMILES
CC1=CC(=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C13H12O/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10H,1H3
InChIKey
UDONPJKEOAWFGI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Phenoxytoluene
CAS: 3586-14-9
CID: 19165
Formula: C13H12O
MW: 184.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.23
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass184.088815002
Monoisotopic Mass184.088815002
Topological Polar Surface Area9.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity161
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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