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2- (p-Tolyl) ethanol

CAT: 0931-TN9447-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN9447-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
699-02-5
Target
Others
Related Pathways
Others
Purity
0.988
Bioactivity
2- (p-Tolyl) ethanol is an alcohol compound containing a toluene group, widely used in biochemical experiments and drug synthesis research.
Smiles
OCCC1=CC=C(C=C1)C
Molecular Formula
C9H12O
Molecular Weight
136.19
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-Methylphenethyl alcohol
CAS Number699-02-5
PubChem CID95294
IUPAC Name2-(4-methylphenyl)ethanol
Molecular FormulaC9H12O
Molecular Weight136.19
XLogP1.9
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity82
SMILES
CC1=CC=C(C=C1)CCO
InChI
InChI=1S/C9H12O/c1-8-2-4-9(5-3-8)6-7-10/h2-5,10H,6-7H2,1H3
InChIKey
DAVFJRVIVZOKKS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methylphenethyl alcohol
CAS: 699-02-5
CID: 95294
Formula: C9H12O
MW: 136.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.19
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass136.088815002
Monoisotopic Mass136.088815002
Topological Polar Surface Area20.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity82.7
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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