CAS: 533-31-3
名称: 1,3-benzodioxol-5-ol
SMILES:
C1OC2=C(O1)C=C(C=C2)OMolecular Processing
Molecular formula
C7H6O3
Molecular weight
138.12
Exact mass
138.0317
XLogP
1.12
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
10
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
0.143
Molar refractivity
34.23
Supplementary Information
InChIKey: LUSZGTFNYDARNI-UHFFFAOYSA-N
同義語
Sesamol533-31-31,3-Benzodioxol-5-ol3,4-Methylenedioxyphenol5-Hydroxy-1,3-benzodioxole2H-1,3-Benzodioxol-5-OlMethylene ether of oxyhydroquinonePhenol, 3,4-(methylenedioxy)-DTXSID902126794IEA0NV89NSC-59256DTXCID101267RefChem:25934208-561-53,4-(Methylenedioxy)phenol3,4-Methylendioxyphenolbenzo[d][1,3]dioxol-5-olMFCD000058275-Benzodioxolol2H-benzo[d]1,3-dioxolen-5-olsesamol lithiumsesamol sodium1,3-Benzodioxol-5-ol (Sesamol)CCRIS 1386sesamol, ion (1+)sesamol titanium (+4)EINECS 208-561-5NSC 59256BRN 0127405UNII-94IEA0NV89
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