3,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

3,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

CAS: 1268350-47-5

Formula: C15H21BO4

SMILES: CC1=C(C)C(=CC(=C1)C(O)=O)B1OC(C)(C)C(C)(C)O1

IUPAC: 3,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

InChI: InChI=1S/C15H21BO4/c1-9-7-11(13(17)18)8-12(10(9)2)16-19-14(3,4)15(5,6)20-16/h7-8H,1-6H3,(H,17,18)

Composition: C (65.24%), H (7.67%), B (3.91%), O (23.18%)

Molar Mass: 276.14

Atom Count: 41

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	276.153289
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	ZNWPYBXTTPJEHU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.05
Topological Polar Surface Area	55.76
Polarizability	29.85
Ring Count	2
Rotatable Bond Count	2

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