2-formyl-4-methoxyphenylboronic acid

2-formyl-4-methoxyphenylboronic acid

CAS: 139962-95-1

Formula: C8H9BO4

SMILES: COC1=CC(C=O)=C(C=C1)B(O)O

IUPAC: (2-formyl-4-methoxyphenyl)boronic acid

InChI: InChI=1S/C8H9BO4/c1-13-7-2-3-8(9(11)12)6(4-7)5-10/h2-5,11-12H,1H3

Composition: C (53.39%), H (5.04%), B (6.01%), O (35.56%)

Molar Mass: 179.97

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	180.059389
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	ZSSNGMFKYFBOAG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.65
Topological Polar Surface Area	66.76
Polarizability	17.97
Ring Count	1
Rotatable Bond Count	3

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