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4-Propoxyphenol

CAT: 0572-TRC-P839240-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P839240-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
18979-50-5
Hazard Statement
Causes serious eye irritation.
Purity
>95% (HPLC)
Smiles
CCCOC1=CC=C(C=C1)O
Molecular Formula
C9H12O2
Molecular Weight
152.19
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-Propoxyphenol
CAS Number18979-50-5
PubChem CID29352
IUPAC Name4-propoxyphenol
Molecular FormulaC9H12O2
Molecular Weight152.19
XLogP2.3
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity95
SMILES
CCCOC1=CC=C(C=C1)O
InChI
InChI=1S/C9H12O2/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6,10H,2,7H2,1H3
InChIKey
KIIIPQXXLVCCQP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Propoxyphenol
CAS: 18979-50-5
CID: 29352
Formula: C9H12O2
MW: 152.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.19
XLogP32.3
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
Complexity95.7
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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