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Chemical ID: 4559075
Chemical ID:
4559075
Name [?]:
2-acetyl-4-isopropenyl-cyclopentan-1-one
SMILES [?]:
CC(=C)C1CC(C(=O)C1)C(=O)C
InChi [?]:
InChI=1/C10H14O2/c1-6(2)8-4-9(7(3)11)10(12)5-8/h8-9H,1,4-5H2,2-3H3
InChi Info:
AuxInfo=1/0/N:3,1,12,5,9,2,10,4,6,7,11,8/rA:12cCCCCCCCOCCOC/rB:s1;d2;s2;s4;s5;s6;d7;s4s7;s6;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.57974 |
Area: | 341.027 |
Solvation: | -2.94593 |
Coulombic: | -13.8968 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 166.217 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 0.55 |
LogP (Chemaxon): | 2.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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