Chemical ID: 4987559

CC(CCCCCCCCC(=O)O)c1ccccc1
Chemical ID:
4987559
Name [?]:
10-phenylundecanoic acid
SMILES [?]:
CC(CCCCCCCCC(=O)O)c1ccccc1
InChi [?]:
InChI=1/C17H26O2/c1-15(16-12-8-6-9-13-16)11-7-4-2-3-5-10-14-17(18)19/h6,8-9,12-13,15H,2-5,7,10-11,14H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,6,7,5,8,17,4,16,18,9,3,15,19,10,2,14,11,12,13/E:(8,9)(12,13)(18,19)/rA:19cCCCCCCCCCCCOOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;s2;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H26O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:11.1765
Area:523.848
Solvation:-1.91971
Coulombic:-29.7134
Bond Count [?]
All:19
Single:15
Double:4
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:262.387
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.1
LogP (Chemaxon):5.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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