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

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

CAS: 1418129-38-0

Formula: C14H17BO5

SMILES: CC1(C)OB(OC1(C)C)C1=CC(=CC=C1C=O)C(O)=O

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

InChI: InChI=1S/C14H17BO5/c1-13(2)14(3,4)20-15(19-13)11-7-9(12(17)18)5-6-10(11)8-16/h5-8H,1-4H3,(H,17,18)

Composition: C (60.90%), H (6.21%), B (3.92%), O (28.97%)

Molar Mass: 276.1

Atom Count: 37

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	276.116904
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	MUDUXFQBPOSXHF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.55
Topological Polar Surface Area	72.83
Polarizability	28.25
Ring Count	2
Rotatable Bond Count	3

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