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Chemical ID: 3998896
Chemical ID:
3998896
Name [?]:
None
SMILES [?]:
CC(=O)c1cc2c3ccccc3ccc2o1
InChi [?]:
InChI=1/C14H10O2/c1-9(15)14-8-12-11-5-3-2-4-10(11)6-7-13(12)16-14/h2-8H,1H3
InChi Info:
AuxInfo=1/0/N:1,10,9,11,8,13,14,5,2,12,7,6,15,4,3,16/rA:16nCCOCCCCCCCCCCCCO/rB:s1;d2;s2;d4;s5;s6;s7;d8;s9;d10;d7s11;s12;d13;d6s14;s4s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.51747 |
Area: | 379.663 |
Solvation: | -1.9741 |
Coulombic: | -17.795 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 210.228 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.18 |
LogP (Chemaxon): | 2.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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