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

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

CAS: 238088-31-8

Formula: C9H16BNO2

SMILES: CC1(C)OB(CCC#N)OC1(C)C

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

InChI: InChI=1S/C9H16BNO2/c1-8(2)9(3,4)13-10(12-8)6-5-7-11/h5-6H2,1-4H3

Composition: C (59.71%), H (8.91%), B (5.97%), N (7.74%), O (17.67%)

Molar Mass: 181.04

Atom Count: 29

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	181.127409
Formal Charge	0
FSP3	0.89
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	YCRBWRBCSUVPIG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.86
Topological Polar Surface Area	42.25
Polarizability	19.79
Ring Count	1
Rotatable Bond Count	2

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