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Methoxybenzoquinone

Catalog Number
ACM2880582-1
CAS Number
2880-58-2
Product Name
Methoxybenzoquinone
Structure
Category
Charge Transfer Complexes; Molecular Conductors
Description
Solid
IUPAC Name
2-methoxycyclohexa-2,5-diene-1,4-dione
Molecular Weight
138.12
Molecular Formula
C7H6O3
Canonical SMILES
COC1=CC(=O)C=CC1=O
InChI
InChI=1S/C7H6O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3
InChI Key
ZJKWJHONFFKJHG-UHFFFAOYSA-N
Melting Point
147 °C
Purity
>99.0%(GC)
Appearance
Light orange to Yellow to Green powder to crystal
Storage
Store under inert gas
Complexity
235
Covalently-Bonded Unit Count
1
Exact Mass
138.031694g/mol
Formal Charge
0
Heavy Atom Count
10
Log P
-0.06 (LogP);-0.06
MDL Number
MFCD00144755
MeSH Entry Terms
2-methoxy-1,4-benzoquinone;2-methoxy-para-benzoquinone;methoxy-p-benzoquinone
Monoisotopic Mass
138.031694g/mol
NSC Number
508876
Rotatable Bond Count
1
XLogP3
-0.1
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