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Home > Boronic Acids > 191089-06-2
191089-06-2 | Benzoic acid, 4-borono-2-methyl-
CAS No: 191089-06-2 Catalog No: AG002F0K MDL No:MFCD09037832
Product Description
Catalog Number:
AG002F0K
Chemical Name:
Benzoic acid, 4-borono-2-methyl-
CAS Number:
191089-06-2
Molecular Formula:
C8H9BO4
Molecular Weight:
179.9657
MDL Number:
MFCD09037832
IUPAC Name:
4-borono-2-methylbenzoic acid
InChI:
InChI=1S/C8H9BO4/c1-5-4-6(9(12)13)2-3-7(5)8(10)11/h2-4,12-13H,1H3,(H,10,11)
InChI Key:
JCNNWPPDDRQZJM-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)C)C(=O)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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