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1604802-47-2 | Benzaldehyde, 3-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1604802-47-2 Catalog No: AG001RXS MDL No:
Product Description
Catalog Number:
AG001RXS
Chemical Name:
Benzaldehyde, 3-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1604802-47-2
Molecular Formula:
C13H17BO4
Molecular Weight:
248.0827
IUPAC Name:
3-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
InChI:
InChI=1S/C13H17BO4/c1-12(2)13(3,4)18-14(17-12)10-5-9(8-15)6-11(16)7-10/h5-8,16H,1-4H3
InChI Key:
VZTKGBSBKFDQFR-UHFFFAOYSA-N
SMILES:
O=Cc1cc(O)cc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.122g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.085g/mol
Monoisotopic Mass:
248.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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