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2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol

2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol

CAS: 651030-56-7

Formula: C14H21BO3

SMILES: CC1(C)OB(OC1(C)C)C1=CC=CC(CCO)=C1

IUPAC: 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethan-1-ol

InChI: InChI=1S/C14H21BO3/c1-13(2)14(3,4)18-15(17-13)12-7-5-6-11(10-12)8-9-16/h5-7,10,16H,8-9H2,1-4H3

Composition: C (67.77%), H (8.53%), B (4.36%), O (19.34%)

Molar Mass: 248.13

Atom Count: 39

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 248.158375
Formal Charge 0
FSP3 0.57
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey NJOVPKLUJRKAGP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.28
Topological Polar Surface Area 38.69
Polarizability 28.22
Ring Count 2
Rotatable Bond Count 3

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