Chemical ID: 6723894

CC(=O)OC1CCC(CC1)C(=O)[O-]
Chemical ID:
6723894
Name [?]:
4-acetoxycyclohexane-1-carboxylate
SMILES [?]:
CC(=O)OC1CCC(CC1)C(=O)[O-]
InChi [?]:
InChI=1/C9H14O4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h7-8H,2-5H2,1H3,(H,11,12)/p-1
InChi Info:
AuxInfo=1/1/N:1,7,9,6,10,2,8,5,11,3,12,13,4/E:(2,3)(4,5)(11,12)/rA:13nCCOOCCCCCCCOO-/rB:s1;d2;s2;s4;s5;s6;s7;s8;s5s9;s8;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H13O4-
All Atoms:26
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:-35.0546
Area:355.237
Solvation:-43.9355
Coulombic:-15.7125
Bond Count [?]
All:13
Single:11
Double:2
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:185.197
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.43
LogP (Chemaxon):0.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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