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Chemical ID: 6913681
Chemical ID:
6913681
Name [?]:
1-(1-benzoylcyclopropyl)ethanone
SMILES [?]:
CC(=O)C1(CC1)C(=O)c2ccccc2
InChi [?]:
InChI=1/C12H12O2/c1-9(13)12(7-8-12)11(14)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,10,14,5,6,2,9,7,4,3,8/E:(3,4)(5,6)(7,8)/rA:14nCCOCCCCOCCCCCC/rB:s1;d2;s2;s4;s4s5;s4;d7;s7;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H12O2 |
All Atoms: | 26 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.8298 |
Area: | 359.334 |
Solvation: | -2.15356 |
Coulombic: | -16.5328 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 188.222 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.49 |
LogP (Chemaxon): | 2.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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