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Chemical ID: 7669186
Chemical ID:
7669186
Name [?]:
None
SMILES [?]:
CC1=CC(=O)N(C1=O)c2cccc(c2)C(=O)O
InChi [?]:
InChI=1/C12H9NO4/c1-7-5-10(14)13(11(7)15)9-4-2-3-8(6-9)12(16)17/h2-6H,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,11,12,10,3,14,2,13,9,4,7,15,6,5,8,16,17/E:(16,17)/rA:17nCCCCONCOCCCCCCCOO/rB:s1;d2;s3;d4;s4;s2s6;d7;s6;s9;d10;s11;d12;d9s13;s13;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H9NO4 |
All Atoms: | 26 |
Heavy Atoms: | 17 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.88667 |
Area: | 394.144 |
Solvation: | -2.96692 |
Coulombic: | -52.7605 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.79 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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