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Home > Boronic Acids > 862126-33-8
862126-33-8 | 2-[3-(benzyloxy)prop-1-yn-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS No: 862126-33-8 Catalog No: AG00IDYL MDL No:MFCD25970567
Product Description
Catalog Number:
AG00IDYL
Chemical Name:
2-[3-(benzyloxy)prop-1-yn-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS Number:
862126-33-8
Molecular Formula:
C16H21BO3
Molecular Weight:
272.1471
MDL Number:
MFCD25970567
IUPAC Name:
4,4,5,5-tetramethyl-2-(3-phenylmethoxyprop-1-ynyl)-1,3,2-dioxaborolane
InChI:
InChI=1S/C16H21BO3/c1-15(2)16(3,4)20-17(19-15)11-8-12-18-13-14-9-6-5-7-10-14/h5-7,9-10H,12-13H2,1-4H3
InChI Key:
BGKRWCHUAGKXFM-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)C#CCOCc1ccccc1
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.158g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.151g/mol
Monoisotopic Mass:
272.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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