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Chemical ID: 5576230
Chemical ID:
5576230
Name [?]:
3,3-dimethylindan-1-one
SMILES [?]:
CC1(CC(=O)c2c1cccc2)C
InChi [?]:
InChI=1/C11H12O/c1-11(2)7-10(12)8-5-3-4-6-9(8)11/h3-6H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,10,9,11,8,3,6,7,4,2,5/E:(1,2)/rA:12nCCCCOCCCCCCC/rB:s1;s2;s3;d4;s4;s2s6;d7;s8;d9;d6s10;s2;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.44167 |
Area: | 319.112 |
Solvation: | -1.53612 |
Coulombic: | -9.47882 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 160.212 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.45 |
LogP (Chemaxon): | 2.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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