Chemical ID: 5119807

c1ccc2cc(ccc2c1)C(=O)CCC(=O)CCC(=O)O
Chemical ID:
5119807
Name [?]:
7-(2-naphthyl)-4,7-dioxo-heptanoic acid
SMILES [?]:
c1ccc2cc(ccc2c1)C(=O)CCC(=O)CCC(=O)O
InChi [?]:
InChI=1/C17H16O4/c18-15(8-10-17(20)21)7-9-16(19)14-6-5-12-3-1-2-4-13(12)11-14/h1-6,11H,7-10H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,10,3,8,7,14,17,13,18,5,9,4,6,15,11,19,16,12,20,21/E:(20,21)/rA:21nCCCCCCCCCCCOCCCOCCCOO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;d11;s11;s13;s14;d15;s15;s17;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16O4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.8804
Area:508.404
Solvation:-3.8297
Coulombic:-41.111
Bond Count [?]
All:22
Single:14
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:284.307
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.13
LogP (Chemaxon):2.49

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