Chemical ID: 5128333

C1CC(CCC=C(C1)C(=O)O)C(=O)O
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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Descriptor Annotations

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