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124044-66-2 | Benzenebutanoic acid, α-amino-, ethyl ester, (αR)-
CAS No: 124044-66-2 Catalog No: AG000LFW MDL No:
Product Description
Catalog Number:
AG000LFW
Chemical Name:
Benzenebutanoic acid, α-amino-, ethyl ester, (αR)-
CAS Number:
124044-66-2
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
IUPAC Name:
ethyl (2R)-2-amino-4-phenylbutanoate
InChI:
InChI=1S/C12H17NO2/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9,13H2,1H3/t11-/m1/s1
InChI Key:
WFLQXECQLHZKMV-LLVKDONJSA-N
SMILES:
CCOC(=O)[C@@H](CCc1ccccc1)N
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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