Chemical ID: 5025767

CCC(=O)OC1CCCCC1O
Chemical ID:
5025767
Name [?]:
(2-hydroxycyclohexyl) propanoate
SMILES [?]:
CCC(=O)OC1CCCCC1O
InChi [?]:
InChI=1/C9H16O3/c1-2-9(11)12-8-6-4-3-5-7(8)10/h7-8,10H,2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,9,8,10,7,11,6,3,12,4,5/rA:12cCCCOOCCCCCCO/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s6s10;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H16O3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:2
ZAP Information [?]
Total:5.80666
Area:342.496
Solvation:-2.75575
Coulombic:-35.0518
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:1.08
LogP (Chemaxon):1.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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