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Home > Boronic Acids > 1106869-99-1
1106869-99-1 | 3-Formyl-4-methylphenylboronic acid
CAS No: 1106869-99-1 Catalog No: AG00HBR9 MDL No:MFCD08274476
Product Description
Catalog Number:
AG00HBR9
Chemical Name:
3-Formyl-4-methylphenylboronic acid
CAS Number:
1106869-99-1
Molecular Formula:
C8H9BO3
Molecular Weight:
163.9663
MDL Number:
MFCD08274476
IUPAC Name:
(3-formyl-4-methylphenyl)boronic acid
InChI:
InChI=1S/C8H9BO3/c1-6-2-3-8(9(11)12)4-7(6)5-10/h2-5,11-12H,1H3
InChI Key:
UHPDMPNTUUASKT-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1C)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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