Chemical ID: 5569273

COC1CCC(CC1)CC(=O)O
Chemical ID:
5569273
Name [?]:
2-(4-methoxycyclohexyl)acetic acid
SMILES [?]:
COC1CCC(CC1)CC(=O)O
InChi [?]:
InChI=1/C9H16O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,5,7,4,8,9,6,3,10,11,12,2/E:(2,3)(4,5)(10,11)/rA:12nCOCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H16O3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.36112
Area:340.177
Solvation:-3.14331
Coulombic:-33.6849
Bond Count [?]
All:12
Single:11
Double:1
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:172.222
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.05
LogP (Chemaxon):1.09

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Descriptor Annotations

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