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2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate

2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate

CAS: 917757-44-9

Formula: C15H21BO5

SMILES: COC1=C(OC(C)=O)C=C(C=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: 2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate

InChI: InChI=1S/C15H21BO5/c1-10(17)19-13-9-11(7-8-12(13)18-6)16-20-14(2,3)15(4,5)21-16/h7-9H,1-6H3

Composition: C (61.67%), H (7.25%), B (3.70%), O (27.38%)

Molar Mass: 292.14

Atom Count: 42

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 292.148204
Formal Charge 0
FSP3 0.53
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey XNQOYRPBJQKOGV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.31
Topological Polar Surface Area 53.99
Polarizability 30.96
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS UnitPrice
98% <10 Days 917757-44-9 Quote Only
Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 917757-44-9 $51.35-$262.20$51.35$63.37$65.55$86.31$87.40$262.20
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