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Chemical ID: 6709659
Chemical ID:
6709659
Name [?]:
5-oxo-5-phenyl-pentanoate
SMILES [?]:
c1ccc(cc1)C(=O)CCCC(=O)[O-]
InChi [?]:
InChI=1/C11H12O3/c12-10(7-4-8-11(13)14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,10,3,5,9,11,4,7,12,8,13,14/E:(2,3)(5,6)(13,14)/rA:14nCCCCCCCOCCCCOO-/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11O3- |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -35.4772 |
Area: | 384.027 |
Solvation: | -45.0779 |
Coulombic: | -6.50706 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 191.203 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.11 |
LogP (Chemaxon): | 1.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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