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1233860-27-9 | 1-Pyrrolidinecarboxylic acid, 3-(2-nitrophenoxy)-, 1,1-dimethylethyl ester, (3R)-
CAS No: 1233860-27-9 Catalog No: AG000KGS MDL No:MFCD17014072
Product Description
Catalog Number:
AG000KGS
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-(2-nitrophenoxy)-, 1,1-dimethylethyl ester, (3R)-
CAS Number:
1233860-27-9
Molecular Formula:
C15H20N2O5
Molecular Weight:
308.3297
MDL Number:
MFCD17014072
IUPAC Name:
tert-butyl (3S)-3-(2-nitrophenoxy)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C15H20N2O5/c1-15(2,3)22-14(18)16-9-8-11(10-16)21-13-7-5-4-6-12(13)17(19)20/h4-7,11H,8-10H2,1-3H3/t11-/m0/s1
InChI Key:
MMTLDQWOGUSHKN-NSHDSACASA-N
SMILES:
O=C(N1CC[C@H](C1)Oc1ccccc1[N+](=O)[O-])OC(C)(C)C
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
308.137g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.334g/mol
Monoisotopic Mass:
308.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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