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Home > Nitro Compounds > 122092-19-7
122092-19-7 | L-Proline, 1-(4-nitrophenyl)-, methyl ester
CAS No: 122092-19-7 Catalog No: AG01FAV4 MDL No:
Product Description
Catalog Number:
AG01FAV4
Chemical Name:
L-Proline, 1-(4-nitrophenyl)-, methyl ester
CAS Number:
122092-19-7
Molecular Formula:
C12H14N2O4
Molecular Weight:
250.2506
IUPAC Name:
methyl (2S)-1-(4-nitrophenyl)pyrrolidine-2-carboxylate
InChI:
InChI=1S/C12H14N2O4/c1-18-12(15)11-3-2-8-13(11)9-4-6-10(7-5-9)14(16)17/h4-7,11H,2-3,8H2,1H3/t11-/m0/s1
InChI Key:
IHUGHLAIFLPIPC-NSHDSACASA-N
SMILES:
COC(=O)[C@@H]1CCCN1c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
250.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.254g/mol
Monoisotopic Mass:
250.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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