Chemical ID: 4515102

CCOC(=O)c1cc2c3ccccc3ccc2oc1=O
Chemical ID:
4515102
Name [?]:
None
SMILES [?]:
CCOC(=O)c1cc2c3ccccc3ccc2oc1=O
InChi [?]:
InChI=1/C16H12O4/c1-2-19-15(17)13-9-12-11-6-4-3-5-10(11)7-8-14(12)20-16(13)18/h3-9H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,12,11,13,10,15,16,7,14,9,8,6,17,4,19,5,20,3,18/rA:20nCCOCOCCCCCCCCCCCCOCO/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;d12;d9s13;s14;d15;d8s16;s17;s6s18;d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12O4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.17078
Area:448.849
Solvation:-3.05046
Coulombic:-38.9746
Bond Count [?]
All:22
Single:14
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:268.264
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.32
LogP (Chemaxon):3.01

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue