Chemical ID: 6633552

c1ccc2c(c1)CCC3=C(CC2=O)C(=O)OC3
Chemical ID:
6633552
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CCC3=C(CC2=O)C(=O)OC3
InChi [?]:
InChI=1/C14H12O3/c15-13-7-12-10(8-17-14(12)16)6-5-9-3-1-2-4-11(9)13/h1-4H,5-8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,8,11,17,5,9,4,10,12,14,13,15,16/rA:17nCCCCCCCCCCCCOCOOC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;s4s11;d12;s10;d14;s14;s9s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.21376
Area:381.819
Solvation:-3.33172
Coulombic:-26.8787
Bond Count [?]
All:19
Single:13
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:228.243
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.33
LogP (Chemaxon):1.31

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Descriptor Annotations

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