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Chemical ID: 6698562
Chemical ID:
6698562
Name [?]:
bicyclo[2.2.1]hept-2-ene-5,6-dicarboxylate
SMILES [?]:
C1C2C=CC1C(C2C(=O)[O-])C(=O)[O-]
InChi [?]:
InChI=1/C9H10O4/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7H,3H2,(H,10,11)(H,12,13)/p-2
InChi Info:
AuxInfo=1/1/N:3,4,1,2,5,7,6,8,11,9,10,12,13/E:(1,2)(4,5)(6,7)(8,9)(10,11,12,13)/gE:(1,2)/rA:13cCCCCCCCCOO-COO-/rB:s1;s2;d3;s1s4;s5;s2s6;s7;d8;s8;s6;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8O4-2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | -105.237 |
Area: | 319.201 |
Solvation: | -113.217 |
Coulombic: | 33.6094 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 180.157 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | -0.71 |
LogP (Chemaxon): | 0.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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