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Home > Nitro Compounds > 75082-88-1
75082-88-1 | BETA-HYDROXY-3-NITROPHENYLALANINE
CAS No: 75082-88-1 Catalog No: AG0056RY MDL No:MFCD00508204
Product Description
Catalog Number:
AG0056RY
Chemical Name:
BETA-HYDROXY-3-NITROPHENYLALANINE
CAS Number:
75082-88-1
Molecular Formula:
C9H10N2O5
Molecular Weight:
226.1861
MDL Number:
MFCD00508204
IUPAC Name:
2-amino-3-hydroxy-3-(3-nitrophenyl)propanoic acid
InChI:
InChI=1S/C9H10N2O5/c10-7(9(13)14)8(12)5-2-1-3-6(4-5)11(15)16/h1-4,7-8,12H,10H2,(H,13,14)
InChI Key:
MBHARJQAJLMPIU-UHFFFAOYSA-N
SMILES:
OC(=O)[C@H](C(c1cccc(c1)[N+](=O)[O-])O)N
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
226.188g/mol
Monoisotopic Mass:
226.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7
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