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Home > Pyridines > 1137013-14-9
1137013-14-9 | L-Tyrosine, O-3-pyridinyl-, methyl ester
CAS No: 1137013-14-9 Catalog No: AG0009DG MDL No:MFCD20922889
Product Description
Catalog Number:
AG0009DG
Chemical Name:
L-Tyrosine, O-3-pyridinyl-, methyl ester
CAS Number:
1137013-14-9
Molecular Formula:
C15H16N2O3
Molecular Weight:
272.2991
MDL Number:
MFCD20922889
IUPAC Name:
methyl (2S)-2-amino-3-(4-pyridin-3-yloxyphenyl)propanoate
InChI:
InChI=1S/C15H16N2O3/c1-19-15(18)14(16)9-11-4-6-12(7-5-11)20-13-3-2-8-17-10-13/h2-8,10,14H,9,16H2,1H3/t14-/m0/s1
InChI Key:
KCDFQZJZENUBND-AWEZNQCLSA-N
SMILES:
COC(=O)[C@H](Cc1ccc(cc1)Oc1cccnc1)N
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
272.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.304g/mol
Monoisotopic Mass:
272.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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