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2-(2-methoxyethoxy)phenylboronic acid

2-(2-methoxyethoxy)phenylboronic acid

CAS: 1122568-09-5

Formula: C9H13BO4

SMILES: COCCOC1=CC=CC=C1B(O)O

IUPAC: [2-(2-methoxyethoxy)phenyl]boronic acid

InChI: InChI=1S/C9H13BO4/c1-13-6-7-14-9-5-3-2-4-8(9)10(11)12/h2-5,11-12H,6-7H2,1H3

Composition: C (55.15%), H (6.69%), B (5.52%), O (32.65%)

Molar Mass: 196.01

Atom Count: 27

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 196.090689
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey FVUUWXVSSBFFPS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.11
Topological Polar Surface Area 58.92
Polarizability 20.44
Ring Count 1
Rotatable Bond Count 5

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