Chemical ID: 6664823

Cc1cccc(c1)C=C2C(=O)c3ccccc3C2=O
Chemical ID:
6664823
Name [?]:
2-(m-tolylmethylene)indane-1,3-dione
SMILES [?]:
Cc1cccc(c1)C=C2C(=O)c3ccccc3C2=O
InChi [?]:
InChI=1/C17H12O2/c1-11-5-4-6-12(9-11)10-15-16(18)13-7-2-3-8-14(13)17(15)19/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,4,3,5,13,16,7,8,2,6,12,17,9,10,18,11,19/E:(2,3)(7,8)(13,14)(16,17)(18,19)/rA:19nCCCCCCCCCCOCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;d10;s10;s12;d13;s14;d15;d12s16;s9s17;d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.2719
Area:428.257
Solvation:-2.43453
Coulombic:-18.7331
Bond Count [?]
All:21
Single:12
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:248.276
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.73
LogP (Chemaxon):3.8

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