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1,4-Dimethoxybenzene

CAT: 0572-TRC-D456380-500GSize: 500 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D456380-500GSize:500 g
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CAS Number
150-78-7
Synonyms
1,4-Dimethoxybenzol; 4-Methoxyanisole; DMB;Hydroquinone Dimethyl Ether; Methyl 4-Methoxyphenyl Ether
Hazard Statement
No Data Available
Smiles
COc1ccc(OC)cc1
Molecular Formula
C8 H10 O2
Molecular Weight
138.164
InChI
InChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3
Additionnal Information
IUPAC name: 1,4-dimethoxybenzene
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1,4-Dimethoxybenzene

1,4-Dimethoxybenzene is a dimethoxybenzene.

CAS Number150-78-7
PubChem CID9016
IUPAC Name1,4-dimethoxybenzene
Molecular FormulaC8H10O2
Molecular Weight138.16
XLogP2
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity73
SMILES
COC1=CC=C(C=C1)OC
InChI
InChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3
InChIKey
OHBQPCCCRFSCAX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Dimethoxybenzene
CAS: 150-78-7
CID: 9016
Formula: C8H10O2
MW: 138.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight138.16
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass138.068079557
Monoisotopic Mass138.068079557
Topological Polar Surface Area18.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity73.3
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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