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Home > Boronic Acids > 1398331-98-0
1398331-98-0 | (4-(1-Hydroxycyclobutyl)phenyl)boronic acid pinacol ester
CAS No: 1398331-98-0 Catalog No: AG00HVOX MDL No:MFCD18734557
Product Description
Catalog Number:
AG00HVOX
Chemical Name:
(4-(1-Hydroxycyclobutyl)phenyl)boronic acid pinacol ester
CAS Number:
1398331-98-0
Molecular Formula:
C16H23BO3
Molecular Weight:
274.1630
MDL Number:
MFCD18734557
IUPAC Name:
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutan-1-ol
InChI:
InChI=1S/C16H23BO3/c1-14(2)15(3,4)20-17(19-14)13-8-6-12(7-9-13)16(18)10-5-11-16/h6-9,18H,5,10-11H2,1-4H3
InChI Key:
ADJDMTWSQDLRRP-UHFFFAOYSA-N
SMILES:
OC1(CCC1)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.174g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.167g/mol
Monoisotopic Mass:
274.174g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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