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4-formyl-2,6-dimethoxyphenylboronic acid

4-formyl-2,6-dimethoxyphenylboronic acid

CAS: 1256355-34-6

Formula: C9H11BO5

SMILES: COC1=CC(C=O)=CC(OC)=C1B(O)O

IUPAC: (4-formyl-2,6-dimethoxyphenyl)boronic acid

InChI: InChI=1S/C9H11BO5/c1-14-7-3-6(5-11)4-8(15-2)9(7)10(12)13/h3-5,12-13H,1-2H3

Composition: C (51.48%), H (5.28%), B (5.15%), O (38.09%)

Molar Mass: 209.99

Atom Count: 26

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 210.069953
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey SNAHFCPYLSJIAT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.11
Topological Polar Surface Area 75.99
Polarizability 20.52
Ring Count 1
Rotatable Bond Count 4

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