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Home > Nitro Compounds > 71876-88-5
71876-88-5 | L-Tyrosine,3,5-dinitro-, monohydrate (9CI)
CAS No: 71876-88-5 Catalog No: AG005P9P MDL No:MFCD00150534
Product Description
Catalog Number:
AG005P9P
Chemical Name:
L-Tyrosine,3,5-dinitro-, monohydrate (9CI)
CAS Number:
71876-88-5
Molecular Formula:
C9H11N3O8
Molecular Weight:
289.1989
MDL Number:
MFCD00150534
IUPAC Name:
(2S)-2-amino-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid;hydrate
InChI:
InChI=1S/C9H9N3O7.H2O/c10-5(9(14)15)1-4-2-6(11(16)17)8(13)7(3-4)12(18)19;/h2-3,5,13H,1,10H2,(H,14,15);1H2/t5-;/m0./s1
InChI Key:
IZLZTNHJGCMKEP-JEDNCBNOSA-N
SMILES:
OC(=O)[C@H](Cc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O)N.O
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
289.055g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
289.2g/mol
Monoisotopic Mass:
289.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
176A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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