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Home > Boronic Acids > 157968-90-6
157968-90-6 | Phenylalanine, 3-borono-
CAS No: 157968-90-6 Catalog No: AG001PV9 MDL No:
Product Description
Catalog Number:
AG001PV9
Chemical Name:
Phenylalanine, 3-borono-
CAS Number:
157968-90-6
Molecular Formula:
C9H12BNO4
Molecular Weight:
209.0069
IUPAC Name:
(2S)-2-amino-3-(3-boronophenyl)propanoic acid
InChI:
InChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-2-1-3-7(4-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)/t8-/m0/s1
InChI Key:
GSKLGSBKUHSIIP-QMMMGPOBSA-N
SMILES:
OC(=O)[C@H](Cc1cccc(c1)B(O)O)N
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
209.086g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
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:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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