CC(=O)C1=CC2=C(C=C1N)OCO2
CAS: 28657-75-2
Nombre: 1-(6-amino-1,3-benzodioxol-5-yl)ethanone
SMILES: CC(=O)C1=CC2=C(C=C1N)OCO2

Molecular Processing

Molecular formula
C9H9NO3
Molecular weight
179.17
Exact mass
179.0582
XLogP
1.2
TPSA
61.55
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
46.98

Supplementary Information

InChIKey: DWTHYSZSRJOMSC-UHFFFAOYSA-N
Sinónimos
28657-75-21-(6-amino-1,3-benzodioxol-5-yl)ethanone6-Amino-3,4-methylenedioxyacetophenone1-(6-Amino-1,3-benzodioxol-5-yl)ethan-1-oneEthanone, 1-(6-amino-1,3-benzodioxol-5-yl)-I5IA5A30LIEINECS 249-131-7DTXSID001828155-ACETYL-6-AMINO-1,3-BENZODIOXOLANE2-AMINO-4,5-(METHYLENEDIOXY)ACETOPHENONE4,5-(METHYLENEDIOXY)-2-AMINOACETOPHENONERefChem:426696DTXCID40105306249-131-71-(6-Aminobenzo[d][1,3]dioxol-5-yl)ethanone6'-Amino-3',4'-(methylenedioxy)acetophenone2-Amino-4,5-methylenedioxyacetophenoneMFCD000758551-(6-Amino-2H-1,3-Benzodioxol-5-Yl)Ethan-1-One2'-Amino-4',5'-(methylenedioxy)acetophenone2'-Amino-4',5'-methylenedioxyacetophenone5-Acetyl-6-amino-1,3-benzodioxole1-(6-Aminobenzo[d][1,3]dioxol-5-yl)ethan-1-one6/'-Amino-3/',4/'-(methylenedioxy)acetophenone5-acetyl-6-amino-2H-benzo[d]1,3-dioxoleneUNII-I5IA5A30LIMLS000037536SCHEMBL209949CHEMBL1416743SCHEMBL30014749
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