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Home > Boronic Acids > 1150114-66-1
1150114-66-1 | Benzoic acid, 3-borono-5-methyl-
CAS No: 1150114-66-1 Catalog No: AG000FMB MDL No:MFCD12025977
Product Description
Catalog Number:
AG000FMB
Chemical Name:
Benzoic acid, 3-borono-5-methyl-
CAS Number:
1150114-66-1
Molecular Formula:
C8H9BO4
Molecular Weight:
179.9657
MDL Number:
MFCD12025977
IUPAC Name:
3-borono-5-methylbenzoic acid
InChI:
InChI=1S/C8H9BO4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4,12-13H,1H3,(H,10,11)
InChI Key:
LGRLKFHVFRMHOZ-UHFFFAOYSA-N
SMILES:
Cc1cc(cc(c1)C(=O)O)B(O)O
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
179.966g/mol
Monoisotopic Mass:
180.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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