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Home > Nitro Compounds > 183583-02-0
183583-02-0 | L-Tyrosine, O-ethyl-2-nitro-
CAS No: 183583-02-0 Catalog No: AG0027PS MDL No:
Product Description
Catalog Number:
AG0027PS
Chemical Name:
L-Tyrosine, O-ethyl-2-nitro-
CAS Number:
183583-02-0
Molecular Formula:
C11H14N2O5
Molecular Weight:
254.2393
IUPAC Name:
(2S)-2-amino-3-(4-ethoxy-2-nitrophenyl)propanoic acid
InChI:
InChI=1S/C11H14N2O5/c1-2-18-8-4-3-7(5-9(12)11(14)15)10(6-8)13(16)17/h3-4,6,9H,2,5,12H2,1H3,(H,14,15)/t9-/m0/s1
InChI Key:
RPECJUHNPSEFBD-VIFPVBQESA-N
SMILES:
CCOc1ccc(c(c1)[N+](=O)[O-])C[C@@H](C(=O)O)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:
254.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.242g/mol
Monoisotopic Mass:
254.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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