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Home > Boronic Acids > 1218790-71-6
1218790-71-6 | Boronic acid, B-(4-formyl-3,5-dimethylphenyl)-
CAS No: 1218790-71-6 Catalog No: AG001699 MDL No:MFCD15143475
Product Description
Catalog Number:
AG001699
Chemical Name:
Boronic acid, B-(4-formyl-3,5-dimethylphenyl)-
CAS Number:
1218790-71-6
Molecular Formula:
C9H11BO3
Molecular Weight:
177.9928
MDL Number:
MFCD15143475
IUPAC Name:
(4-formyl-3,5-dimethylphenyl)boronic acid
InChI:
InChI=1S/C9H11BO3/c1-6-3-8(10(12)13)4-7(2)9(6)5-11/h3-5,12-13H,1-2H3
InChI Key:
HMOKNSHYDFAZAZ-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)cc(cc1C)B(O)O
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.994g/mol
Monoisotopic Mass:
178.08g/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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