Chemical ID: 5180820

CC1(Cc2ccccc2C1=O)C
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

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Experimental Annotations

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Descriptor Annotations

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