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Home > Boronic Acids > 156428-81-8
156428-81-8 | (4-FORMYL-2-METHYLPHENYL)BORONIC ACID
CAS No: 156428-81-8 Catalog No: AG00ACCS MDL No:MFCD09839115
Product Description
Catalog Number:
AG00ACCS
Chemical Name:
(4-FORMYL-2-METHYLPHENYL)BORONIC ACID
CAS Number:
156428-81-8
Molecular Formula:
C8H9BO3
Molecular Weight:
163.9663
MDL Number:
MFCD09839115
IUPAC Name:
(4-formyl-2-methylphenyl)boronic acid
InChI:
InChI=1S/C8H9BO3/c1-6-4-7(5-10)2-3-8(6)9(11)12/h2-5,11-12H,1H3
InChI Key:
ORHODDYPZMCLBU-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)C)B(O)O
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.967g/mol
Monoisotopic Mass:
164.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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