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Chemical ID: 6734946
Chemical ID:
6734946
Name [?]:
1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate
SMILES [?]:
CCOc1ccc(cc1)N2CC(CC2=O)C(=O)[O-]
InChi [?]:
InChI=1/C13H15NO4/c1-2-18-11-5-3-10(4-6-11)14-8-9(13(16)17)7-12(14)15/h3-6,9H,2,7-8H2,1H3,(H,16,17)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,8,5,9,13,11,12,7,4,14,16,10,15,17,18,3/E:(3,4)(5,6)(16,17)/rA:18cCCOCCCCCCNCCCCOCOO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s10s13;d14;s12;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14NO4- |
All Atoms: | 32 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -30.9654 |
Area: | 435.08 |
Solvation: | -41.8424 |
Coulombic: | -24.6369 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 248.255 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 0.3 |
LogP (Chemaxon): | 0.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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