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Home > Boronic Acids > 617689-07-3
617689-07-3 | 5-Methoxy-2-methyl benzeneboronic acid
CAS No: 617689-07-3 Catalog No: AG00EID5 MDL No:MFCD03425973
Product Description
Catalog Number:
AG00EID5
Chemical Name:
5-Methoxy-2-methyl benzeneboronic acid
CAS Number:
617689-07-3
Molecular Formula:
C8H11BO3
Molecular Weight:
165.9821
MDL Number:
MFCD03425973
IUPAC Name:
(5-methoxy-2-methylphenyl)boronic acid
InChI:
InChI=1S/C8H11BO3/c1-6-3-4-7(12-2)5-8(6)9(10)11/h3-5,10-11H,1-2H3
InChI Key:
QUQJFILPCCJEGB-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)B(O)O)C
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:
2
Isotope Atom Count:
0
Molecular Weight:
165.983g/mol
Monoisotopic Mass:
166.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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