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

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

CAS: 620595-36-0

Formula: C13H17BO4

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

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

InChI: InChI=1S/C13H17BO4/c1-12(2)13(3,4)18-14(17-12)10-5-6-11(16)9(7-10)8-15/h5-8,16H,1-4H3

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	4
Hydrogen Bond Donor Count	1
InChIKey	FGSHRYLDHURBJL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.28
Topological Polar Surface Area	55.76
Polarizability	26.5
Ring Count	2
Rotatable Bond Count	2

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