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Home > Nitro Compounds > 29358-99-4
29358-99-4 | L-Tyrosine, N-acetyl-3,5-dinitro-, ethyl ester
CAS No: 29358-99-4 Catalog No: AG002Y4R MDL No:
Product Description
Catalog Number:
AG002Y4R
Chemical Name:
L-Tyrosine, N-acetyl-3,5-dinitro-, ethyl ester
CAS Number:
29358-99-4
Molecular Formula:
C13H15N3O8
Molecular Weight:
341.2735
IUPAC Name:
ethyl (2S)-2-acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoate
InChI:
InChI=1S/C13H15N3O8/c1-3-24-13(19)9(14-7(2)17)4-8-5-10(15(20)21)12(18)11(6-8)16(22)23/h5-6,9,18H,3-4H2,1-2H3,(H,14,17)/t9-/m0/s1
InChI Key:
SJSFXFJUJDOSND-VIFPVBQESA-N
SMILES:
CCOC(=O)[C@H](Cc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O)NC(=O)C
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
341.086g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
341.276g/mol
Monoisotopic Mass:
341.086g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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