Chemical ID: 4788140

c1ccc(cc1)C(=O)CCCCCCCC(=O)O
Chemical ID:
4788140
Name [?]:
9-oxo-9-phenyl-nonanoic acid
SMILES [?]:
c1ccc(cc1)C(=O)CCCCCCCC(=O)O
InChi [?]:
InChI=1/C15H20O3/c16-14(13-9-5-4-6-10-13)11-7-2-1-3-8-12-15(17)18/h4-6,9-10H,1-3,7-8,11-12H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:12,11,13,1,2,6,10,14,3,5,9,15,4,7,16,8,17,18/E:(5,6)(9,10)(17,18)/rA:18nCCCCCCCOCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;s13;s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.30845
Area:494.225
Solvation:-3.04719
Coulombic:-35.7089
Bond Count [?]
All:18
Single:13
Double:5
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:248.318
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.66
LogP (Chemaxon):3.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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