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methyl 3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate

methyl 3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate

CAS: 917024-58-9

Formula: C16H23BO4

SMILES: COC(=O)CCC1=CC=CC(=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: methyl 3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate

InChI: InChI=1S/C16H23BO4/c1-15(2)16(3,4)21-17(20-15)13-8-6-7-12(11-13)9-10-14(18)19-5/h6-8,11H,9-10H2,1-5H3

Composition: C (66.23%), H (7.99%), B (3.73%), O (22.05%)

Molar Mass: 290.17

Atom Count: 44

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 290.168939
Formal Charge 0
FSP3 0.56
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey YFDSZWZTUXPZJH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.39
Topological Polar Surface Area 44.76
Polarizability 32.13
Ring Count 2
Rotatable Bond Count 5

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