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Home > Boronic Acids > 1617543-89-1
1617543-89-1 | (Tetrahydro-2H-pyran-3-yl)methylboronic acid pinacol ester
CAS No: 1617543-89-1 Catalog No: AG00JSLB MDL No:MFCD28118894
Product Description
Catalog Number:
AG00JSLB
Chemical Name:
(Tetrahydro-2H-pyran-3-yl)methylboronic acid pinacol ester
CAS Number:
1617543-89-1
Molecular Formula:
C12H23BO3
Molecular Weight:
226.1202
MDL Number:
MFCD28118894
IUPAC Name:
4,4,5,5-tetramethyl-2-(oxan-3-ylmethyl)-1,3,2-dioxaborolane
InChI:
InChI=1S/C12H23BO3/c1-11(2)12(3,4)16-13(15-11)8-10-6-5-7-14-9-10/h10H,5-9H2,1-4H3
InChI Key:
FXRHDHDJIZSQNM-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)CC1CCCOC1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.174g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.123g/mol
Monoisotopic Mass:
226.174g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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