Chemical ID: 6691567

CCCCCCOC(=O)c1ccccc1O
Chemical ID:
6691567
Name [?]:
hexyl 2-hydroxybenzoate
SMILES [?]:
CCCCCCOC(=O)c1ccccc1O
InChi [?]:
InChI=1/C13H18O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h5-6,8-9,14H,2-4,7,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,12,13,5,11,14,6,10,15,8,16,9,7/rA:16nCCCCCCOCOCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18O3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.61158
Area:440.577
Solvation:-2.40284
Coulombic:-37.7599
Bond Count [?]
All:16
Single:12
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:222.28
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.02
LogP (Chemaxon):3.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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