Home Aminos (2S)-2-amino-4-phenoxybutanoic acid

(2S)-2-amino-4-phenoxybutanoic acid

CAS No.:
52161-82-7
Catalog Number:
AG01B6PD
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
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Product Description
Catalog Number:
AG01B6PD
Chemical Name:
(2S)-2-amino-4-phenoxybutanoic acid
CAS Number:
52161-82-7
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
MDL Number:
MFCD20644158
IUPAC Name:
(2S)-2-amino-4-phenoxybutanoic acid
InChI:
InChI=1S/C10H13NO3/c11-9(10(12)13)6-7-14-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
InChI Key:
OZTJTXTWPFGIHY-VIFPVBQESA-N
SMILES:
N[C@H](C(=O)O)CCOc1ccccc1
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3  
Properties