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1217500-76-9 | Boronic acid, B-[2-(hydroxymethyl)-5-[(1-oxo-2-propen-1-yl)amino]phenyl]-
CAS No: 1217500-76-9 Catalog No: AG0015QW MDL No:MFCD12546481
Product Description
Catalog Number:
AG0015QW
Chemical Name:
Boronic acid, B-[2-(hydroxymethyl)-5-[(1-oxo-2-propen-1-yl)amino]phenyl]-
CAS Number:
1217500-76-9
Molecular Formula:
C10H12BNO4
Molecular Weight:
221.0176
MDL Number:
MFCD12546481
IUPAC Name:
[2-(hydroxymethyl)-5-(prop-2-enoylamino)phenyl]boronic acid
InChI:
InChI=1S/C10H12BNO4/c1-2-10(14)12-8-4-3-7(6-13)9(5-8)11(15)16/h2-5,13,15-16H,1,6H2,(H,12,14)
InChI Key:
SIPPDIZUHBQKKL-UHFFFAOYSA-N
SMILES:
C=CC(=O)Nc1ccc(c(c1)B(O)O)CO
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.086g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
221.019g/mol
Monoisotopic Mass:
221.086g/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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