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1- (2-Methylphenoxy) -2-propanone

CAT: 0127-OR1082873-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1082873-01Size:250 mg
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CAS Number
13662-01-6
Purity
95%
Smiles
O (CC (=O) C) c1c (C) cccc1

Chemical Information

1-(2-Methylphenoxy)-2-propanone
CAS Number13662-01-6
PubChem CID12410610
IUPAC Name1-(2-methylphenoxy)propan-2-one
Molecular FormulaC10H12O2
Molecular Weight164.20
XLogP2.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity154
SMILES
CC1=CC=CC=C1OCC(=O)C
InChI
InChI=1S/C10H12O2/c1-8-5-3-4-6-10(8)12-7-9(2)11/h3-6H,7H2,1-2H3
InChIKey
RTRHQNMVGFFMGE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Methylphenoxy)-2-propanone
CAS: 13662-01-6
CID: 12410610
Formula: C10H12O2
MW: 164.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight164.20
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass164.083729621
Monoisotopic Mass164.083729621
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity154
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