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847578-92-1 | L-Alanine, N-[3-[4-(3-phenylpropoxy)phenyl]propyl]-
CAS No: 847578-92-1 Catalog No: AG004YAC MDL No:
Product Description
Catalog Number:
AG004YAC
Chemical Name:
L-Alanine, N-[3-[4-(3-phenylpropoxy)phenyl]propyl]-
CAS Number:
847578-92-1
Molecular Formula:
C21H27NO3
Molecular Weight:
341.4440
IUPAC Name:
(2S)-2-[3-[4-(3-phenylpropoxy)phenyl]propylamino]propanoic acid
InChI:
InChI=1S/C21H27NO3/c1-17(21(23)24)22-15-5-9-19-11-13-20(14-12-19)25-16-6-10-18-7-3-2-4-8-18/h2-4,7-8,11-14,17,22H,5-6,9-10,15-16H2,1H3,(H,23,24)/t17-/m0/s1
InChI Key:
AOVUUEYPHGGVAF-KRWDZBQOSA-N
SMILES:
C[C@@H](C(=O)O)NCCCc1ccc(cc1)OCCCc1ccccc1
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
341.199g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
341.451g/mol
Monoisotopic Mass:
341.199g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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