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81703-29-9 | [(1R,2S)-2-acetamido-1-phenyl-propyl] acetate
CAS No: 81703-29-9 Catalog No: AG0051BW MDL No:
Product Description
Catalog Number:
AG0051BW
Chemical Name:
[(1R,2S)-2-acetamido-1-phenyl-propyl] acetate
CAS Number:
81703-29-9
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
[(1R,2S)-2-acetamido-1-phenylpropyl] acetate
InChI:
InChI=1S/C13H17NO3/c1-9(14-10(2)15)13(17-11(3)16)12-7-5-4-6-8-12/h4-9,13H,1-3H3,(H,14,15)/t9-,13-/m0/s1
InChI Key:
NGGHWHVNIDFSQK-ZANVPECISA-N
SMILES:
C[C@@H]([C@@H](c1ccccc1)OC(=O)C)NC(=O)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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