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Home > Boronic Acids > 1186398-35-5

1186398-35-5

1186398-35-5 | (5-Formyl-2-methylphenyl);boronic acid

CAS No: 1186398-35-5 Catalog No: AG0080ZW MDL No:MFCD16295249

Product Description

Catalog Number:
AG0080ZW
Chemical Name:
(5-Formyl-2-methylphenyl);boronic acid
CAS Number:
1186398-35-5
Molecular Formula:
C8H9BO3
Molecular Weight:
163.9663
MDL Number:
MFCD16295249
IUPAC Name:
(5-formyl-2-methylphenyl)boronic acid
InChI:
InChI=1S/C8H9BO3/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-5,11-12H,1H3
InChI Key:
VBQDWWUYMAWKHV-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)B(O)O)C

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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