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4 5-Dimethoxy-o-benzoquinone

CAT: 0286-D34068Size: 1 gDry Ice: NoHazardous: No
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CAT#:0286-D34068Size:1 g
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CAS Number
21086-65-7
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00016370
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

4,5-Dimethoxy-o-benzoquinone
CAS Number21086-65-7
PubChem CID88786
IUPAC Name4,5-dimethoxycyclohexa-3,5-diene-1,2-dione
Molecular FormulaC8H8O4
Molecular Weight168.15
XLogP-0.3
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity255
SMILES
COC1=CC(=O)C(=O)C=C1OC
InChI
InChI=1S/C8H8O4/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4H,1-2H3
InChIKey
DCNHYWSNHGOKHN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,5-Dimethoxy-o-benzoquinone
CAS: 21086-65-7
CID: 88786
Formula: C8H8O4
MW: 168.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight168.15
XLogP3-0.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass168.04225873
Monoisotopic Mass168.04225873
Topological Polar Surface Area52.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity255
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