4-(2-methoxy-2-oxoethyl)phenylboronic acid

4-(2-methoxy-2-oxoethyl)phenylboronic acid

CAS: 454185-96-7

Formula: C9H11BO4

SMILES: COC(=O)CC1=CC=C(C=C1)B(O)O

IUPAC: [4-(2-methoxy-2-oxoethyl)phenyl]boronic acid

InChI: InChI=1S/C9H11BO4/c1-14-9(11)6-7-2-4-8(5-3-7)10(12)13/h2-5,12-13H,6H2,1H3

Composition: C (55.72%), H (5.72%), B (5.57%), O (32.99%)

Molar Mass: 193.99

Atom Count: 25

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	194.075039
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	CKXOGMXYISAZGN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.68
Topological Polar Surface Area	66.76
Polarizability	19.84
Ring Count	1
Rotatable Bond Count	4

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