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104504-45-2

104504-45-2 | H-Bpa-OH H-Phe(4-Bz);-OH

CAS No: 104504-45-2 Catalog No: AG003KSN MDL No:MFCD00238102

Product Description

Catalog Number:
AG003KSN
Chemical Name:
H-Bpa-OH H-Phe(4-Bz);-OH
CAS Number:
104504-45-2
Molecular Formula:
C16H15NO3
Molecular Weight:
269.2952
MDL Number:
MFCD00238102
IUPAC Name:
(2S)-2-amino-3-(4-benzoylphenyl)propanoic acid
InChI:
InChI=1S/C16H15NO3/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,19,20)/t14-/m0/s1
InChI Key:
TVIDEEHSOPHZBR-AWEZNQCLSA-N
SMILES:
N[C@H](C(=O)O)Cc1ccc(cc1)C(=O)c1ccccc1
UNII:
9RU6KQ9WYD

Properties

Complexity:
342  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
269.105g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
269.3g/mol
Monoisotopic Mass:
269.105g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

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