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114557-71-0 | Copper(1+), aqua(1,10-phenanthroline-κN1,κN10)(L-phenylalaninato-κN,κO)-, (SP-5-23)-, nitrate, monohydrate (9CI)
CAS No: 114557-71-0 Catalog No: AG000EO6 MDL No:
Product Description
Catalog Number:
AG000EO6
Chemical Name:
Copper(1+), aqua(1,10-phenanthroline-κN1,κN10)(L-phenylalaninato-κN,κO)-, (SP-5-23)-, nitrate, monohydrate (9CI)
CAS Number:
114557-71-0
Molecular Formula:
C21H22CuN4O7
Molecular Weight:
505.9680
IUPAC Name:
copper;2-amino-3-phenylpropanoate;1,10-phenanthroline;nitrate;dihydrate
InChI:
InChI=1S/C12H8N2.C9H11NO2.Cu.NO3.2H2O/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;10-8(9(11)12)6-7-4-2-1-3-5-7;;2-1(3)4;;/h1-8H;1-5,8H,6,10H2,(H,11,12);;;2*1H2/q;;+2;-1;;/p-1
InChI Key:
DQRRDCBMIGHVDV-UHFFFAOYSA-M
SMILES:
c1cnc2c(c1)ccc1c2nccc1.NC(C(=O)[O-])Cc1ccccc1.[O-][N+](=O)[O-].O.O.[Cu+2]
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
6
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
505.078g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
505.974g/mol
Monoisotopic Mass:
505.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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