Chemical ID: 6913681

CC(=O)C1(CC1)C(=O)c2ccccc2
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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