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Home > Boronic Acids > 158429-66-4
158429-66-4 | Benzoic acid, 4-borono-3-methyl-
CAS No: 158429-66-4 Catalog No: AG001Q6Z MDL No:MFCD09037833
Product Description
Catalog Number:
AG001Q6Z
Chemical Name:
Benzoic acid, 4-borono-3-methyl-
CAS Number:
158429-66-4
Molecular Formula:
C8H9BO4
Molecular Weight:
179.9657
MDL Number:
MFCD09037833
IUPAC Name:
4-borono-3-methylbenzoic acid
InChI:
InChI=1S/C8H9BO4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4,12-13H,1H3,(H,10,11)
InChI Key:
QIGSMEYLQVLGRY-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)C)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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