methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate

methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate

Formula: C13H17BO4

SMILES: COC(=O)C1=CC=C(C=C1)B1OCC(C)(C)CO1

IUPAC: methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate

InChI: InChI=1S/C13H17BO4/c1-13(2)8-17-14(18-9-13)11-6-4-10(5-7-11)12(15)16-3/h4-7H,8-9H2,1-3H3

Composition: C (62.94%), H (6.91%), B (4.36%), O (25.80%)

Molar Mass: 248.09

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	248.121989
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	LOMGOLHZGKZTRH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.25
Topological Polar Surface Area	44.76
Polarizability	26.58
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C13H17BO4		Quote Only