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

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

CAS: 141522-26-1

Formula: C10H13BO3

SMILES: COC1=CC=CC=C1B1OCCCO1

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

InChI: InChI=1S/C10H13BO3/c1-12-10-6-3-2-5-9(10)11-13-7-4-8-14-11/h2-3,5-6H,4,7-8H2,1H3

Composition: C (62.55%), H (6.82%), B (5.63%), O (25.00%)

Molar Mass: 192.02

Atom Count: 27

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 192.095774
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey DMLJJKWGSAIDFF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.93
Topological Polar Surface Area 27.69
Polarizability 20.99
Ring Count 2
Rotatable Bond Count 2

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