CAS: 94839-07-3
名称: 1,3-benzodioxol-5-ylboronic acid
SMILES:
B(C1=CC2=C(C=C1)OCO2)(O)OMolecular Processing
Molecular formula
C7H7BO4
Molecular weight
165.94
Exact mass
166.0437
XLogP
-0.9
TPSA
58.92
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
42.39
Supplementary Information
InChIKey: CMHPUBKZZPSUIQ-UHFFFAOYSA-N
同義語
(2H-1,3-BENZODIOXOL-5-YL)BORONIC ACIDRefChem:396706672-307-394839-07-33,4-METHYLENEDIOXYPHENYLBORONIC ACIDBenzo[d][1,3]dioxol-5-ylboronic acid3,4-(Methylenedioxy)phenylboronic acid1,3-benzodioxol-5-ylboronic acid3,4-(Methylenedioxy)benzeneboronic acid3,4-Methylenedioxyphenyl boronic acidMFCD010096951,3-Benzodioxole-5-boronic acid3,4-Methylenedioxybenzeneboronic acidCHEMBL1413132H-1,3-benzodioxol-5-ylboronic acidBoronic acid, 1,3-benzodioxol-5-yl-SCHEMBL30231SCHEMBL299569574-methylenedioxyphenylboronic acidDTXSID103702615-benzo[1,3]dioxolylboronic acid1,3-benzodioxol-5-yl boronic acid(1,3-dioxaindan-5-yl)boronic acidBDBM50067897EBC-00541SBB003898(1,3-benzodioxol-5-yl)boronic acid3,4-methylene dioxyphenylboronic acid3,4-methylenedioxyphenyl-boronic acidbenzo[1,3]dioxol-5-yl-boronic acid
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