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4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

CAS: 1562342-07-7

Formula: C13H19BO4

SMILES: COC1=C(C=C(O)C=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: 4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

InChI: InChI=1S/C13H19BO4/c1-12(2)13(3,4)18-14(17-12)10-8-9(15)6-7-11(10)16-5/h6-8,15H,1-5H3

Composition: C (62.43%), H (7.66%), B (4.32%), O (25.59%)

Molar Mass: 250.1

Atom Count: 37

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 250.137639
Formal Charge 0
FSP3 0.54
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey RDZLZTVEUNWIGI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.16
Topological Polar Surface Area 47.92
Polarizability 27.12
Ring Count 2
Rotatable Bond Count 2

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