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Home > Boronic Acids > 1350513-40-4
1350513-40-4 | [(3-methylphenyl)methyl]boronic acid
CAS No: 1350513-40-4 Catalog No: AG01AF4R MDL No:MFCD18861666
Product Description
Catalog Number:
AG01AF4R
Chemical Name:
[(3-methylphenyl)methyl]boronic acid
CAS Number:
1350513-40-4
Molecular Formula:
C8H11BO2
Molecular Weight:
149.9827
MDL Number:
MFCD18861666
IUPAC Name:
(3-methylphenyl)methylboronic acid
InChI:
InChI=1S/C8H11BO2/c1-7-3-2-4-8(5-7)6-9(10)11/h2-5,10-11H,6H2,1H3
InChI Key:
NAGSUGJEWCDWQZ-UHFFFAOYSA-N
SMILES:
OB(Cc1cccc(c1)C)O
Properties
Complexity:
117
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:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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