Home Other Building Blocks Boronic acid, [4-(hydroxymethyl)-2-methylphenyl]- (9CI)

Boronic acid, [4-(hydroxymethyl)-2-methylphenyl]- (9CI)

CAS No.:
166386-66-9
Catalog Number:
AG001WOZ
Molecular Formula:
C8H11BO3
Molecular Weight:
165.9821
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Product Description
Catalog Number:
AG001WOZ
Chemical Name:
Boronic acid, [4-(hydroxymethyl)-2-methylphenyl]- (9CI)
CAS Number:
166386-66-9
Molecular Formula:
C8H11BO3
Molecular Weight:
165.9821
MDL Number:
MFCD13181612
IUPAC Name:
[4-(hydroxymethyl)-2-methylphenyl]boronic acid
InChI:
InChI=1S/C8H11BO3/c1-6-4-7(5-10)2-3-8(6)9(11)12/h2-4,10-12H,5H2,1H3
InChI Key:
IYJFMZDMFLQDCO-UHFFFAOYSA-N
SMILES:
OCc1ccc(c(c1)C)B(O)O
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.08g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
165.983g/mol
Monoisotopic Mass:
166.08g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties