Chemical ID: 5788486

C1C(C=C(C1=O)CCCCCCC(=O)O)O
Chemical ID:
5788486
Name [?]:
7-(3-hydroxy-5-oxo-1-cyclopentenyl)heptanoic acid
SMILES [?]:
C1C(C=C(C1=O)CCCCCCC(=O)O)O
InChi [?]:
InChI=1/C12H18O4/c13-10-7-9(11(14)8-10)5-3-1-2-4-6-12(15)16/h7,10,13H,1-6,8H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:9,10,8,11,7,12,3,1,4,2,5,13,16,6,14,15/E:(15,16)/rA:16cCCCCCOCCCCCCCOOO/rB:s1;s2;d3;s1s4;d5;s4;s7;s8;s9;s10;s11;s12;d13;s13;s2;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18O4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:7.16676
Area:447.937
Solvation:-4.03167
Coulombic:-50.0624
Bond Count [?]
All:16
Single:13
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:226.269
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.02
LogP (Chemaxon):1.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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