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Home > Boronic Acids > 259209-34-2
259209-34-2 | Boronic acid,(4-ethyl-2-hydroxyphenyl)- (9CI)
CAS No: 259209-34-2 Catalog No: AG002R1L MDL No:
Product Description
Catalog Number:
AG002R1L
Chemical Name:
Boronic acid,(4-ethyl-2-hydroxyphenyl)- (9CI)
CAS Number:
259209-34-2
Molecular Formula:
C8H11BO3
Molecular Weight:
165.9821
IUPAC Name:
(4-ethyl-2-hydroxyphenyl)boronic acid
InChI:
InChI=1S/C8H11BO3/c1-2-6-3-4-7(9(11)12)8(10)5-6/h3-5,10-12H,2H2,1H3
InChI Key:
HHEKVGYUJOTLRK-UHFFFAOYSA-N
SMILES:
CCc1ccc(c(c1)O)B(O)O
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.08g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
165.983g/mol
Monoisotopic Mass:
166.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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