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Chemical ID: 6633552
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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