Synonyms
EBD8348; SCHEMBL49207; 2-Methyl-1,4-benzochinon [Czech]; 2-Methylbenzoquinone-1,4; Toluchinon; NSC-405002; STK006340; AI3-14931; MCULE-9650878933; Toluquinone (VAN);
IUPAC Name
2-methylcyclohexa-2,5-diene-1,4-dione;
Molecular Weight
122.123g/mol
Molecular Formula
C7H6O2;
Canonical SMILES
CC1=CC(=O)C=CC1=O;
InChI
InChI=1S/C7H6O2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3;
InChI Key
VTWDKFNVVLAELH-UHFFFAOYSA-N;
Melting Point
69.0°C;69 DEG C;
Density
1.08 @ 75.5 DEG C/4 DEG C;
Solubility
Slightly soluble in water; soluble in ethanol and ether;Very sol in acetone, ethyl acetate, alcohol, ether, and benzene; soluble in hot water;
Color Form
YELLOW PLATES OR NEEDLES;YELLOW LEAFLETS OR NEEDLES;
Complexity
221
Covalently-Bonded Unit Count
1
EC Number
209-056-2
Exact Mass
122.037g/mol
H-Bond Acceptor
2
Heavy Atom Count
9
Monoisotopic Mass
122.037g/mol
NSC Number
405002
Other Experimental
SUBLIMES;
RTECS Number
DK6300000
Topological Polar Surface Area
34.1A^2
UNII
VF06HB6AZN
