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Chemical ID: 6715542
Chemical ID:
6715542
Name [?]:
1-(2-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate
SMILES [?]:
COc1ccccc1N2CC(CC2=O)C(=O)[O-]
InChi [?]:
InChI=1/C12H13NO4/c1-17-10-5-3-2-4-9(10)13-7-8(12(15)16)6-11(13)14/h2-5,8H,6-7H2,1H3,(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,12,10,11,8,3,13,15,9,14,16,17,2/E:(15,16)/rA:17cCOCCCCCCNCCCCOCOO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s9s12;d13;s11;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H12NO4- |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -33.6923 |
Area: | 407.267 |
Solvation: | -43.8739 |
Coulombic: | -22.9872 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 234.228 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | -0.12 |
LogP (Chemaxon): | 0.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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