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Home > Boronic Acids > 870777-33-6
870777-33-6 | (3-Formyl-5-methylphenyl);boronic acid
CAS No: 870777-33-6 Catalog No: AG003BSI MDL No:MFCD08276762
Product Description
Catalog Number:
AG003BSI
Chemical Name:
(3-Formyl-5-methylphenyl);boronic acid
CAS Number:
870777-33-6
Molecular Formula:
C8H9BO3
Molecular Weight:
163.9663
MDL Number:
MFCD08276762
IUPAC Name:
(3-formyl-5-methylphenyl)boronic acid
InChI:
InChI=1S/C8H9BO3/c1-6-2-7(5-10)4-8(3-6)9(11)12/h2-5,11-12H,1H3
InChI Key:
IDXLUNCVVBZUEN-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)cc(c1)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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