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Home > Boronic Acids > 647853-32-5
647853-32-5 | 3-(2-Hydroxyethyl)benzeneboronic acid
CAS No: 647853-32-5 Catalog No: AG00EB4A MDL No:MFCD03095123
Product Description
Catalog Number:
AG00EB4A
Chemical Name:
3-(2-Hydroxyethyl)benzeneboronic acid
CAS Number:
647853-32-5
Molecular Formula:
C8H11BO3
Molecular Weight:
165.9821
MDL Number:
MFCD03095123
IUPAC Name:
[3-(2-hydroxyethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H11BO3/c10-5-4-7-2-1-3-8(6-7)9(11)12/h1-3,6,10-12H,4-5H2
InChI Key:
GCSYFWQBJAJDGY-UHFFFAOYSA-N
SMILES:
OCCc1cccc(c1)B(O)O
Properties
Complexity:
130
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:
3
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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