Chemical ID: 6492999

CCCCCCOc1ccccc1C(=O)OC
Chemical ID:
6492999
Name [?]:
methyl 2-hexoxybenzoate
SMILES [?]:
CCCCCCOc1ccccc1C(=O)OC
InChi [?]:
InChI=1/C14H20O3/c1-3-4-5-8-11-17-13-10-7-6-9-12(13)14(15)16-2/h6-7,9-10H,3-5,8,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,2,3,4,11,10,5,12,9,6,13,8,14,15,16,7/rA:17nCCCCCCOCCCCCCCOOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.45986
Area:463.08
Solvation:-3.11713
Coulombic:-28.6423
Bond Count [?]
All:17
Single:13
Double:4
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:236.307
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.36
LogP (Chemaxon):3.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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