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133278-73-6 | L-Phenylalanine, N-(2,3-dihydroxypropyl)-
CAS No: 133278-73-6 Catalog No: AG0014IS MDL No:
Product Description
Catalog Number:
AG0014IS
Chemical Name:
L-Phenylalanine, N-(2,3-dihydroxypropyl)-
CAS Number:
133278-73-6
Molecular Formula:
C12H17NO4
Molecular Weight:
239.2677
IUPAC Name:
2-(2,3-dihydroxypropylamino)-3-phenylpropanoic acid
InChI:
InChI=1S/C12H17NO4/c14-8-10(15)7-13-11(12(16)17)6-9-4-2-1-3-5-9/h1-5,10-11,13-15H,6-8H2,(H,16,17)
InChI Key:
PPWZKDLYCITAKH-UHFFFAOYSA-N
SMILES:
OCC(CN[C@H](C(=O)O)Cc1ccccc1)O
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
239.271g/mol
Monoisotopic Mass:
239.116g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.8
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