Chemical ID: 4788135

c1ccc(cc1)C(=O)CCCCCC(=O)O
Chemical ID:
4788135
Name [?]:
7-oxo-7-phenyl-heptanoic acid
SMILES [?]:
c1ccc(cc1)C(=O)CCCCCC(=O)O
InChi [?]:
InChI=1/C13H16O3/c14-12(11-7-3-1-4-8-11)9-5-2-6-10-13(15)16/h1,3-4,7-8H,2,5-6,9-10H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,11,2,6,10,12,3,5,9,13,4,7,14,8,15,16/E:(3,4)(7,8)(15,16)/rA:16nCCCCCCCOCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16O3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.93779
Area:440.354
Solvation:-3.07107
Coulombic:-35.0291
Bond Count [?]
All:16
Single:11
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:220.264
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.52
LogP (Chemaxon):2.34

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Descriptor Annotations

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