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3-Methoxy-4-methylphenol

CAT: 0127-OR957439Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR957439Size:1 g
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CAS Number
19217-50-6
MDL Number
MFCD16998731
Purity
95%
Smiles
COc1cc(O)ccc1C

Chemical Information

3-Methoxy-4-methylphenol
CAS Number19217-50-6
PubChem CID15103015
IUPAC Name3-methoxy-4-methylphenol
Molecular FormulaC8H10O2
Molecular Weight138.16
XLogP2.4
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity103
SMILES
CC1=C(C=C(C=C1)O)OC
InChI
InChI=1S/C8H10O2/c1-6-3-4-7(9)5-8(6)10-2/h3-5,9H,1-2H3
InChIKey
SOYWOKSOKVRZRZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methoxy-4-methylphenol
CAS: 19217-50-6
CID: 15103015
Formula: C8H10O2
MW: 138.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight138.16
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass138.068079557
Monoisotopic Mass138.068079557
Topological Polar Surface Area29.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity103
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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