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3-Methoxyphenol

CAT: 0127-OR923568-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR923568-01Size:25 g
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CAS Number
150-19-6
MDL Number
MFCD00002267
Purity
98%
Smiles
COc1cccc(O)c1

Chemical Information

3-Methoxyphenol

3-methoxyphenol is a member of the class of phenols that is phenol having a methoxy-substituent at the 3-position. It is a monomethoxybenzene and a member of phenols. It is functionally related to a resorcinol.

CAS Number150-19-6
PubChem CID9007
IUPAC Name3-methoxyphenol
Molecular FormulaC7H8O2
Molecular Weight124.14
XLogP1.6
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity83
SMILES
COC1=CC=CC(=C1)O
InChI
InChI=1S/C7H8O2/c1-9-7-4-2-3-6(8)5-7/h2-5,8H,1H3
InChIKey
ASHGTJPOSUFTGB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methoxyphenol
CAS: 150-19-6
CID: 9007
Formula: C7H8O2
MW: 124.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight124.14
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass124.052429494
Monoisotopic Mass124.052429494
Topological Polar Surface Area29.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity83
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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