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Chemical ID: 6694299
Chemical ID:
6694299
Name [?]:
bis(2,5-dioxopyrrolidin-1-yl) octanedioate
SMILES [?]:
C1CC(=O)N(C1=O)OC(=O)CCCCCCC(=O)ON2C(=O)CCC2=O
InChi [?]:
InChI=1/C16H20N2O8/c19-11-7-8-12(20)17(11)25-15(23)5-3-1-2-4-6-16(24)26-18-13(21)9-10-14(18)22/h1-10H2
InChi Info:
AuxInfo=1/0/N:13,14,12,15,11,16,1,2,23,24,6,3,21,25,9,17,5,20,7,4,22,26,10,18,8,19/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20,21,22)(23,24)(25,26)/rA:26nCCCONCOOCOCCCCCCCOONCOCCCO/rB:s1;s2;d3;s3;s1s5;d6;s5;s8;d9;s9;s11;s12;s13;s14;s15;s16;d17;s17;s19;s20;d21;s21;s23;s20s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2O8 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.48731 |
Area: | 607.29 |
Solvation: | -7.69495 |
Coulombic: | -63.1002 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 368.339 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 10 |
XLogP: | -0.79 |
LogP (Chemaxon): | -0.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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