C1OC2=CC=CC=C2O1
CAS: 274-09-9
Name: 1,3-benzodioxole
SMILES: C1OC2=CC=CC=C2O1

Molecular Processing

Molecular formula
C7H6O2
Molecular weight
122.12
Exact mass
122.0368
XLogP
1.42
TPSA
18.46
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
9
Rings
2
Aromatic rings
1
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
32.56

Supplementary Information

InChIKey: FTNJQNQLEGKTGD-UHFFFAOYSA-N
Synonyms
1,3-BENZODIOXOLE274-09-91,2-Methylenedioxybenzene1,2-(Methylenedioxy)benzene1,3-Dioxaindan2H-1,3-Benzodioxole3,4-MethylenedioxybenzeneMethylenedioxybenzeneo-(Methylenedioxy)benzene1,3-BenzodioxolaneBenzene, 1,2-(methylenebis(oxy))-F0XLL582B8NSC-30095DTXSID9051951CHEBI:38732Benzene, 1,2-[methylenebis(oxy)]-RefChem:72468DTXCID2030514205-992-0methylene dioxybenzeneBenzo[d][1,3]dioxoleBenzodioxole1,3-DioxindanNSC 300951.3-benzodioxoleo-Methylenedioxybenzene(Methylenedioxy)benzeneBenzene, 1,2-(methylenedioxy)-MFCD00005818CHEMBL4757380
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