Chemical ID: 5576230

CC1(CC(=O)c2c1cccc2)C
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

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Descriptor Annotations

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