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Chemical ID: 4788140
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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