B(C1=C(C=CC(=C1)C=O)OC)(O)O
CAS: 127972-02-5
Name: (5-formyl-2-methoxyphenyl)boronic acid
SMILES: B(C1=C(C=CC(=C1)C=O)OC)(O)O

Molecular Processing

Molecular formula
C8H9BO4
Molecular weight
179.97
Exact mass
180.0594
XLogP
-0.81
TPSA
66.76
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
48.21

Supplementary Information

InChIKey: NKKNXLPHCRLBDY-UHFFFAOYSA-N
Synonyme
127972-02-55-Formyl-2-methoxyphenylboronic acidDTXSID20370257RefChem:303243DTXCID10321293626-939-12-Methoxy-5-formylphenylboronic acid(5-formyl-2-methoxyphenyl)boronic acidMFCD01319044Boronic acid, B-(5-formyl-2-methoxyphenyl)-5-Formyl-2-methoxybenzeneboronic Acid(5-formyl-2-methoxy-phenyl)boronic Acid2-Methoxy-5-formylbenzeneboronic acidBORONIC ACID, (5-FORMYL-2-METHOXYPHENYL)-SCHEMBL678993-borono4-methoxybenzaldehyde3-BORONO-P-ANISALDEHYDENKKNXLPHCRLBDY-UHFFFAOYSA-NALBB-010789SBB050570(5-formyl-2-methoxyphenyl)boronicacid2-methoxy-5-formylphenyl boronic acid3-BORONO-4-METHOXYBENZALDEHYDE5-formyl-2-methoxyphenyl boronic acidAKOS004116322AB08873CS-W017245PS-95825-formyl 2-methoxy phenyl boronic acid5-formyl-2-methoxy phenyl boronic acid
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