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Home > Nitro Compounds > 86091-65-8
86091-65-8 | L-Tyrosine,N-(3,5-dinitrobenzoyl)-
CAS No: 86091-65-8 Catalog No: AG004P3J MDL No:
Product Description
Catalog Number:
AG004P3J
Chemical Name:
L-Tyrosine,N-(3,5-dinitrobenzoyl)-
CAS Number:
86091-65-8
Molecular Formula:
C16H13N3O8
Molecular Weight:
375.2897
IUPAC Name:
(2S)-2-[(3,5-dinitrobenzoyl)amino]-3-(4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C16H13N3O8/c20-13-3-1-9(2-4-13)5-14(16(22)23)17-15(21)10-6-11(18(24)25)8-12(7-10)19(26)27/h1-4,6-8,14,20H,5H2,(H,17,21)(H,22,23)/t14-/m0/s1
InChI Key:
DCSVEDZIOSFADB-AWEZNQCLSA-N
SMILES:
Oc1ccc(cc1)C[C@@H](C(=O)O)NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
375.07g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
375.293g/mol
Monoisotopic Mass:
375.07g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
178A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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