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Home > Nitro Compounds > 141695-33-2
141695-33-2 | L-Phenylalanine, N-[(4-nitrophenoxy)carbonyl]-
CAS No: 141695-33-2 Catalog No: AG001GWC MDL No:
Product Description
Catalog Number:
AG001GWC
Chemical Name:
L-Phenylalanine, N-[(4-nitrophenoxy)carbonyl]-
CAS Number:
141695-33-2
Molecular Formula:
C16H14N2O6
Molecular Weight:
330.2922
IUPAC Name:
2-[(4-nitrophenoxy)carbonylamino]-3-phenylpropanoic acid
InChI:
InChI=1S/C16H14N2O6/c19-15(20)14(10-11-4-2-1-3-5-11)17-16(21)24-13-8-6-12(7-9-13)18(22)23/h1-9,14H,10H2,(H,17,21)(H,19,20)
InChI Key:
KTIAHKGGBSIHNG-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccc(cc1)[N+](=O)[O-])N[C@H](C(=O)O)Cc1ccccc1
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.085g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
330.296g/mol
Monoisotopic Mass:
330.085g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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