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2-Ethyl-6-methylphenol

CAT: 0127-OR0472-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR0472-01Size:1 g
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CAS Number
1687-64-5
Synonyms
3-Ethyl-2-hydroxytoluene, 6-Ethyl-o-cresol
MDL Number
MFCD00962292
Purity
=95%
Smiles
CCc1cccc(C)c1O

Chemical Information

2-Ethyl-6-methylphenol

6-Ethyl-o-cresol is a hydroxytoluene.

CAS Number1687-64-5
PubChem CID519333
IUPAC Name2-ethyl-6-methylphenol
Molecular FormulaC9H12O
Molecular Weight136.19
XLogP2.6
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity101
SMILES
CCC1=CC=CC(=C1O)C
InChI
InChI=1S/C9H12O/c1-3-8-6-4-5-7(2)9(8)10/h4-6,10H,3H2,1-2H3
InChIKey
CIRRFAQIWQFQSS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethyl-6-methylphenol
CAS: 1687-64-5
CID: 519333
Formula: C9H12O
MW: 136.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.19
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass136.088815002
Monoisotopic Mass136.088815002
Topological Polar Surface Area20.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity101
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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