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Home > Boronic Acids > 55499-44-0
55499-44-0 | 2,4-DIMETHYLPHENYLBORONIC ACID
CAS No: 55499-44-0 Catalog No: AG003FUN MDL No:MFCD02683101
Product Description
Catalog Number:
AG003FUN
Chemical Name:
2,4-DIMETHYLPHENYLBORONIC ACID
CAS Number:
55499-44-0
Molecular Formula:
C8H11BO2
Molecular Weight:
149.9827
MDL Number:
MFCD02683101
IUPAC Name:
(2,4-dimethylphenyl)boronic acid
InChI:
InChI=1S/C8H11BO2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5,10-11H,1-2H3
InChI Key:
TYONHSPZXLFWKI-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)B(O)O
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.085g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
149.984g/mol
Monoisotopic Mass:
150.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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