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Home > Nitro Compounds > 122092-18-6
122092-18-6 | L-Proline, 1-(4-nitrophenyl)-
CAS No: 122092-18-6 Catalog No: AG0016QO MDL No:
Product Description
Catalog Number:
AG0016QO
Chemical Name:
L-Proline, 1-(4-nitrophenyl)-
CAS Number:
122092-18-6
Molecular Formula:
C11H12N2O4
Molecular Weight:
236.2240
IUPAC Name:
(2S)-1-(4-nitrophenyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C11H12N2O4/c14-11(15)10-2-1-7-12(10)8-3-5-9(6-4-8)13(16)17/h3-6,10H,1-2,7H2,(H,14,15)/t10-/m0/s1
InChI Key:
RKUGUORNGRELOH-JTQLQIEISA-N
SMILES:
OC(=O)[C@@H]1CCCN1c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
236.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.227g/mol
Monoisotopic Mass:
236.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Linear solvation energy correlation of the solvatochromic response of amino acid functionalized chromophores. | The journal of physical chemistry. B 20070628 |
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