4-(acetyloxy)phenylboronic acid

4-(acetyloxy)phenylboronic acid

CAS: 177490-82-3

Formula: C8H9BO4

SMILES: CC(=O)OC1=CC=C(C=C1)B(O)O

IUPAC: [4-(acetyloxy)phenyl]boronic acid

InChI: InChI=1S/C8H9BO4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/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	3
Hydrogen Bond Donor Count	2
InChIKey	VILXJXDXZGKJLU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.74
Topological Polar Surface Area	66.76
Polarizability	17.98
Ring Count	1
Rotatable Bond Count	3

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