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Home > Boronic Acids > 59016-93-2
59016-93-2 | 4-(Hydroxymethyl)benzeneboronic acid
CAS No: 59016-93-2 Catalog No: AG003K8O MDL No:MFCD00792672
Product Description
Catalog Number:
AG003K8O
Chemical Name:
4-(Hydroxymethyl)benzeneboronic acid
CAS Number:
59016-93-2
Molecular Formula:
C7H9BO3
Molecular Weight:
151.9556
MDL Number:
MFCD00792672
IUPAC Name:
[4-(hydroxymethyl)phenyl]boronic acid
InChI:
InChI=1S/C7H9BO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9-11H,5H2
InChI Key:
PZRPBPMLSSNFOM-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)B(O)O
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.064g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
151.956g/mol
Monoisotopic Mass:
152.064g/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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