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Home > Boronic Acids > 955422-14-7
955422-14-7 | 3-(2-Hydroxyethylcarbamoyl)phenylboronic acid
CAS No: 955422-14-7 Catalog No: AG00IJ79 MDL No:MFCD09878355
Product Description
Catalog Number:
AG00IJ79
Chemical Name:
3-(2-Hydroxyethylcarbamoyl)phenylboronic acid
CAS Number:
955422-14-7
Molecular Formula:
C9H12BNO4
Molecular Weight:
209.0069
MDL Number:
MFCD09878355
IUPAC Name:
[3-(2-hydroxyethylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C9H12BNO4/c12-5-4-11-9(13)7-2-1-3-8(6-7)10(14)15/h1-3,6,12,14-15H,4-5H2,(H,11,13)
InChI Key:
HVVLWQCKVRJBBU-UHFFFAOYSA-N
SMILES:
OCCNC(=O)c1cccc(c1)B(O)O
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.086g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
209.008g/mol
Monoisotopic Mass:
209.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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