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Home > Boronic Acids > 361543-99-9
361543-99-9 | 4-Methoxy-2,6-dimethylphenylboronic acid
CAS No: 361543-99-9 Catalog No: AG0032BZ MDL No:MFCD03452755
Product Description
Catalog Number:
AG0032BZ
Chemical Name:
4-Methoxy-2,6-dimethylphenylboronic acid
CAS Number:
361543-99-9
Molecular Formula:
C9H13BO3
Molecular Weight:
180.0087
MDL Number:
MFCD03452755
IUPAC Name:
(4-methoxy-2,6-dimethylphenyl)boronic acid
InChI:
InChI=1S/C9H13BO3/c1-6-4-8(13-3)5-7(2)9(6)10(11)12/h4-5,11-12H,1-3H3
InChI Key:
UOSSBXMFWPYHEF-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(c(c1)C)B(O)O
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.096g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.01g/mol
Monoisotopic Mass:
180.096g/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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