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306305-35-1 | 3-Pyrrolidinecarboxylic acid, 4-(4-nitrophenyl)-1-(phenylmethyl)-, ethyl ester
CAS No: 306305-35-1 Catalog No: AG0030Q0 MDL No:
Product Description
Catalog Number:
AG0030Q0
Chemical Name:
3-Pyrrolidinecarboxylic acid, 4-(4-nitrophenyl)-1-(phenylmethyl)-, ethyl ester
CAS Number:
306305-35-1
Molecular Formula:
C20H22N2O4
Molecular Weight:
354.3997
IUPAC Name:
ethyl 1-benzyl-4-(4-nitrophenyl)pyrrolidine-3-carboxylate
InChI:
InChI=1S/C20H22N2O4/c1-2-26-20(23)19-14-21(12-15-6-4-3-5-7-15)13-18(19)16-8-10-17(11-9-16)22(24)25/h3-11,18-19H,2,12-14H2,1H3
InChI Key:
WKRBIEGHCJQYMX-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CN(CC1c1ccc(cc1)[N+](=O)[O-])Cc1ccccc1
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.158g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.406g/mol
Monoisotopic Mass:
354.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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