CC1=CC=CC(=O)C1=O
CAS: 4847-64-7
名称: 3-methylcyclohexa-3,5-diene-1,2-dione
SMILES: CC1=CC=CC(=O)C1=O

Molecular Processing

Molecular formula
C7H6O2
Molecular weight
122.12
Exact mass
122.0368
XLogP
0.64
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
9
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
32.91

Supplementary Information

InChIKey: AYRBZWUAQNKWFA-UHFFFAOYSA-N
同義語
3-Methylcyclohexa-3,5-diene-1,2-dione4847-64-7DTXSID00489518RefChem:94868DTXCID204403283-methylbenzo-1,2-quinone3-methyl-[1,2]benzoquinoneSCHEMBL1279258SCHEMBL8733587SCHEMBL10337108SCHEMBL16056231AYRBZWUAQNKWFA-UHFFFAOYSA-N
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