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3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoic acid

3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoic acid

CAS: 797755-11-4

Formula: C15H21BO4

SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(CCC(O)=O)C=C1

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

InChI: InChI=1S/C15H21BO4/c1-14(2)15(3,4)20-16(19-14)12-8-5-11(6-9-12)7-10-13(17)18/h5-6,8-9H,7,10H2,1-4H3,(H,17,18)

Composition: C (65.24%), H (7.67%), B (3.91%), O (23.18%)

Molar Mass: 276.14

Atom Count: 41

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 276.153289
Formal Charge 0
FSP3 0.53
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey FGPXTVKFNUWYEQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.62
Topological Polar Surface Area 55.76
Polarizability 30.03
Ring Count 2
Rotatable Bond Count 4

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