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Home > Boronic Acids > 77374-29-9
77374-29-9 | DL-Phenylalanine, 4-borono-
CAS No: 77374-29-9 Catalog No: AG005N0F MDL No:
Product Description
Catalog Number:
AG005N0F
Chemical Name:
DL-Phenylalanine, 4-borono-
CAS Number:
77374-29-9
Molecular Formula:
C9H12BNO4
Molecular Weight:
209.0069
IUPAC Name:
2-amino-3-(4-boronophenyl)propanoic acid
InChI:
InChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)
InChI Key:
NFIVJOSXJDORSP-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1ccc(cc1)B(O)O)N
Properties
Complexity:
216
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:
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:
1
Undefined Bond Stereocenter Count:
0
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