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Home > Boronic Acids > 915970-59-1
915970-59-1 | Boronic acid, B-[2-(1,1-dimethylethyl)-4-oxo-4H-1-benzopyran-6-yl]-
CAS No: 915970-59-1 Catalog No: AG006SV6 MDL No:
Product Description
Catalog Number:
AG006SV6
Chemical Name:
Boronic acid, B-[2-(1,1-dimethylethyl)-4-oxo-4H-1-benzopyran-6-yl]-
CAS Number:
915970-59-1
Molecular Formula:
C13H15BO4
Molecular Weight:
246.0668
IUPAC Name:
(2-tert-butyl-4-oxochromen-6-yl)boronic acid
InChI:
InChI=1S/C13H15BO4/c1-13(2,3)12-7-10(15)9-6-8(14(16)17)4-5-11(9)18-12/h4-7,16-17H,1-3H3
InChI Key:
QQFMGLFEBYNIKW-UHFFFAOYSA-N
SMILES:
OB(c1ccc2c(c1)c(=O)cc(o2)C(C)(C)C)O
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.069g/mol
Monoisotopic Mass:
246.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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