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methyl 3-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

methyl 3-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

CAS: 1004294-79-4

Formula: C14H19BO5

SMILES: COC(=O)C1=CC(=CC(O)=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: methyl 3-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

InChI: InChI=1S/C14H19BO5/c1-13(2)14(3,4)20-15(19-13)10-6-9(12(17)18-5)7-11(16)8-10/h6-8,16H,1-5H3

Composition: C (60.46%), H (6.89%), B (3.89%), O (28.76%)

Molar Mass: 278.11

Atom Count: 39

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 278.132554
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey CXTSTJMTRHANCB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.72
Topological Polar Surface Area 64.99
Polarizability 29.04
Ring Count 2
Rotatable Bond Count 3

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