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Home > Boronic Acids > 1451391-52-8
1451391-52-8 | (2-(hydroxymethyl)-4-methylphenyl)boronic acid
CAS No: 1451391-52-8 Catalog No: AG01DEHO MDL No:MFCD22628186
Product Description
Catalog Number:
AG01DEHO
Chemical Name:
(2-(hydroxymethyl)-4-methylphenyl)boronic acid
CAS Number:
1451391-52-8
Molecular Formula:
C8H11BO3
Molecular Weight:
165.9821
MDL Number:
MFCD22628186
IUPAC Name:
[2-(hydroxymethyl)-4-methylphenyl]boronic acid
InChI:
InChI=1S/C8H11BO3/c1-6-2-3-8(9(11)12)7(4-6)5-10/h2-4,10-12H,5H2,1H3
InChI Key:
CBAPVZWDDUMKMK-UHFFFAOYSA-N
SMILES:
OCc1cc(C)ccc1B(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
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