Chemical ID: 6458728

CCc1ccc(cc1)C2C(=O)c3ccccc3C2=O
Chemical ID:
6458728
Name [?]:
2-(4-ethylphenyl)indane-1,3-dione
SMILES [?]:
CCc1ccc(cc1)C2C(=O)c3ccccc3C2=O
InChi [?]:
InChI=1/C17H14O2/c1-2-11-7-9-12(10-8-11)15-16(18)13-5-3-4-6-14(13)17(15)19/h3-10,15H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,15,13,16,4,8,5,7,3,6,12,17,9,10,18,11,19/E:(3,4)(5,6)(7,8)(9,10)(13,14)(16,17)(18,19)/rA:19nCCCCCCCCCCOCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s9s17;d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.31202
Area:440.799
Solvation:-2.70795
Coulombic:-17.5655
Bond Count [?]
All:21
Single:13
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:250.292
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.55
LogP (Chemaxon):3.33

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