Chemical ID: 6709659

c1ccc(cc1)C(=O)CCCC(=O)[O-]
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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