2-(1-methoxyethyl)phenylboronic acid

2-(1-methoxyethyl)phenylboronic acid

CAS: 872979-73-2

Formula: C9H13BO3

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

IUPAC: [2-(1-methoxyethyl)phenyl]boronic acid

InChI: InChI=1/C9H13BO3/c1-7(13-2)8-5-3-4-6-9(8)10(11)12/h3-7,11-12H,1-2H3

Composition: C (60.05%), H (7.28%), B (6.01%), O (26.66%)

Molar Mass: 180.01

Atom Count: 26

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	180.095774
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	FQRNBDHINRHZRU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.59
Topological Polar Surface Area	49.69
Polarizability	19.74
Ring Count	1
Rotatable Bond Count	3

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