CC(C)(C)C1=CC2=C(C=C1N)OCO2
CAS: 1061318-58-8
이름: 6-tert-butyl-1,3-benzodioxol-5-amine
SMILES: CC(C)(C)C1=CC2=C(C=C1N)OCO2

Molecular Processing

Molecular formula
C11H15NO2
Molecular weight
193.25
Exact mass
193.1103
XLogP
2.29
TPSA
44.48
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
55.68

Supplementary Information

InChIKey: LLVPBNIWWZXFEV-UHFFFAOYSA-N
동의어
SCHEMBL4995839LLVPBNIWWZXFEV-UHFFFAOYSA-N6-tert-butylbenzo[d][1,3]dioxol-5-amineDB-1006361061318-58-8
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