2,6-Dimethoxyphenol

CAT: 0127-OR5086-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR5086-01Size:25 g

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CAS Number

91-10-1

MDL Number

MFCD00064434

Purity

97%

Smiles

COc1cccc(OC)c1O

Chemical Information

2,6-Dimethoxyphenol

2,6-dimethoxyphenol is a member of the class of phenols that is phenol substituted by methoxy groups at positions 2 and 6. It has a role as a plant metabolite. It is a member of phenols and a dimethoxybenzene.

CAS Number	91-10-1
PubChem CID	7041
IUPAC Name	2,6-dimethoxyphenol
Molecular Formula	C8H10O3
Molecular Weight	154.16
XLogP	1.1
Topological Polar Surface Area	38.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	104

SMILES

COC1=C(C(=CC=C1)OC)O

InChI

InChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3

InChIKey

KLIDCXVFHGNTTM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 91-10-1

CID: 7041

Formula: C8H10O3

MW: 154.16

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	154.16
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	154.062994177
Monoisotopic Mass	154.062994177
Topological Polar Surface Area	38.7 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	104
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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MBS3617793-01	2,6-Dimethoxyphenol
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DBA34322-01	4-Ethenyl-2,6-dimethoxyphenol
T203847-01	4-Ethyl-2,6-dimethoxyphenol
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2,6-Dimethoxyphenol

Chemical Information

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