CAS: 741699-09-2
이름: 4-borono-3-methoxybenzoic acid
SMILES:
B(C1=C(C=C(C=C1)C(=O)O)OC)(O)OMolecular Processing
Molecular formula
C8H9BO5
Molecular weight
195.97
Exact mass
196.0543
XLogP
-0.93
TPSA
86.99
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
49.78
Supplementary Information
InChIKey: ITWXOEQLYFYTJX-UHFFFAOYSA-N
동의어
4-Borono-3-methoxybenzoic acid741699-09-24-CARBOXY-2-METHOXYPHENYLBORONIC ACIDMFCD106966654-(DIHYDROXYBORYL)-3-METHOXYBENZOICACIDBENZOIC ACID, 4-BORONO-3-METHOXY-4-Borono-3-methoxybenzoicacid4-Borono-3-methoxy-benzoic acidSCHEMBL458266DTXSID30630899ITWXOEQLYFYTJX-UHFFFAOYSA-NAKOS0063048264-carboxy-2-methoxyphenyl boronic acidAB57879AS-54861SY042709DB-367334CS-0138996W10572F231104
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