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Home > Nitro Compounds > 119349-11-0
119349-11-0 | Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3-nitro-
CAS No: 119349-11-0 Catalog No: AG000IMS MDL No:
Product Description
Catalog Number:
AG000IMS
Chemical Name:
Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3-nitro-
CAS Number:
119349-11-0
Molecular Formula:
C14H18N2O6
Molecular Weight:
310.3025
IUPAC Name:
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-nitrophenyl)propanoic acid
InChI:
InChI=1S/C14H18N2O6/c1-14(2,3)22-13(19)15-11(12(17)18)8-9-5-4-6-10(7-9)16(20)21/h4-7,11H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m0/s1
InChI Key:
OWTGPXDXLMNQKK-NSHDSACASA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
310.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.306g/mol
Monoisotopic Mass:
310.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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