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Chemical ID: 6382934
Chemical ID:
6382934
Name [?]:
2-(3-carboxypropyl)-1,3-dioxo-isoindoline-5-carboxylic acid
SMILES [?]:
c1cc2c(cc1C(=O)O)C(=O)N(C2=O)CCCC(=O)O
InChi [?]:
InChI=1/C13H11NO6/c15-10(16)2-1-5-14-11(17)8-4-3-7(13(19)20)6-9(8)12(14)18/h3-4,6H,1-2,5H2,(H,15,16)(H,19,20)
InChi Info:
AuxInfo=1/1/N:16,17,1,2,15,5,6,3,4,18,13,10,7,12,19,20,14,11,8,9/E:(15,16)(19,20)/rA:20nCCCCCCCOOCONCOCCCCOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;d10;s10;s3s12;d13;s12;s15;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11NO6 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.42431 |
Area: | 473.074 |
Solvation: | -4.40255 |
Coulombic: | -77.996 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 277.23 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 0.65 |
LogP (Chemaxon): | 0.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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