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Chemical ID: 5128333
Chemical ID:
5128333
Name [?]:
cyclooctene-1,5-dicarboxylic acid
SMILES [?]:
C1CC(CCC=C(C1)C(=O)O)C(=O)O
InChi [?]:
InChI=1/C10H14O4/c11-9(12)7-3-1-4-8(10(13)14)6-2-5-7/h3,8H,1-2,4-6H2,(H,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:5,1,6,4,8,2,7,3,9,12,10,11,13,14/E:(11,12)(13,14)/rA:14cCCCCCCCCCOOCOO/rB:s1;s2;s3;s4;s5;w6;s1s7;s7;d9;s9;s3;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14O4 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.44105 |
Area: | 356.084 |
Solvation: | -2.46106 |
Coulombic: | -54.0545 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 198.216 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.03 |
LogP (Chemaxon): | 1.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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