2-(3-methoxyphenyl)-5,5-dimethyl-1,3,2-dioxaborinane

2-(3-methoxyphenyl)-5,5-dimethyl-1,3,2-dioxaborinane

CAS: 1003858-50-1

Formula: C12H17BO3

SMILES: COC1=CC=CC(=C1)B1OCC(C)(C)CO1

IUPAC: 2-(3-methoxyphenyl)-5,5-dimethyl-1,3,2-dioxaborinane

InChI: InChI=1S/C12H17BO3/c1-12(2)8-15-13(16-9-12)10-5-4-6-11(7-10)14-3/h4-7H,8-9H2,1-3H3

Composition: C (65.49%), H (7.79%), B (4.91%), O (21.81%)

Molar Mass: 220.08

Atom Count: 33

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	220.127074
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	MKCVEYYIUNSTFL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.69
Topological Polar Surface Area	27.69
Polarizability	24.67
Ring Count	2
Rotatable Bond Count	2

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