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3-Propoxyphenol

CAT: 0127-OR957453-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR957453-01Size:100 mg
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CAS Number
16533-50-9
MDL Number
MFCD11181933
Purity
95%
Smiles
CCCOc1cccc(O)c1

Chemical Information

3-Propoxyphenol
CAS Number16533-50-9
PubChem CID11116239
IUPAC Name3-propoxyphenol
Molecular FormulaC9H12O2
Molecular Weight152.19
XLogP2.6
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity104
SMILES
CCCOC1=CC=CC(=C1)O
InChI
InChI=1S/C9H12O2/c1-2-6-11-9-5-3-4-8(10)7-9/h3-5,7,10H,2,6H2,1H3
InChIKey
YYMPIPSWQOGUME-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Propoxyphenol
CAS: 16533-50-9
CID: 11116239
Formula: C9H12O2
MW: 152.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.19
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass152.083729621
Monoisotopic Mass152.083729621
Topological Polar Surface Area29.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity104
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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