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Home > Boronic Acids > 850568-24-0
850568-24-0 | Glycine,N-(4-boronobenzoyl)-, 1-methyl ester
CAS No: 850568-24-0 Catalog No: AG008GTK MDL No:MFCD04115681
Product Description
Catalog Number:
AG008GTK
Chemical Name:
Glycine,N-(4-boronobenzoyl)-, 1-methyl ester
CAS Number:
850568-24-0
Molecular Formula:
C10H12BNO5
Molecular Weight:
237.0170
MDL Number:
MFCD04115681
IUPAC Name:
[4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C10H12BNO5/c1-17-9(13)6-12-10(14)7-2-4-8(5-3-7)11(15)16/h2-5,15-16H,6H2,1H3,(H,12,14)
InChI Key:
YKJICAYIUOGMGH-UHFFFAOYSA-N
SMILES:
COC(=O)CNC(=O)c1ccc(cc1)B(O)O
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.081g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
237.018g/mol
Monoisotopic Mass:
237.081g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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