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Chemical ID: 5180820
Chemical ID:
5180820
Name [?]:
2,2-dimethylindan-1-one
SMILES [?]:
CC1(Cc2ccccc2C1=O)C
InChi [?]:
InChI=1/C11H12O/c1-11(2)7-8-5-3-4-6-9(8)10(11)12/h3-6H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,6,7,5,8,3,4,9,10,2,11/E:(1,2)/rA:12nCCCCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2s9;d10;s2;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.49903 |
Area: | 319.396 |
Solvation: | -1.48586 |
Coulombic: | -9.88598 |
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: | 2.03 |
LogP (Chemaxon): | 2.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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