Chemical ID: 6404200

Cc1cc(=O)oc-2c1C(=O)c3c2cccc3
Chemical ID:
6404200
Name [?]:
None
SMILES [?]:
Cc1cc(=O)oc-2c1C(=O)c3c2cccc3
InChi [?]:
InChI=1/C13H8O3/c1-7-6-10(14)16-13-9-5-3-2-4-8(9)12(15)11(7)13/h2-6H,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,13,3,2,11,12,4,8,9,7,5,10,6/rA:16nCCCCOOCCCOCCCCCC/rB:s1;d2;s3;d4;s4;s6;s2d7;s8;d9;s9;s7s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H8O3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.61718
Area:365.736
Solvation:-2.52621
Coulombic:-27.3554
Bond Count [?]
All:18
Single:11
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:212.201
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.18
LogP (Chemaxon):1.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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