Chemical ID: 6423664

CC(=O)C1CCc2ccccc2C1=O
Chemical ID:
6423664
Name [?]:
2-acetyltetralin-1-one
SMILES [?]:
CC(=O)C1CCc2ccccc2C1=O
InChi [?]:
InChI=1/C12H12O2/c1-8(13)10-7-6-9-4-2-3-5-11(9)12(10)14/h2-5,10H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,10,8,11,6,5,2,7,4,12,13,3,14/rA:14cCCOCCCCCCCCCCO/rB:s1;d2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s4s12;d13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:5.86028
Area:349.673
Solvation:-2.88156
Coulombic:-15.0811
Bond Count [?]
All:15
Single:10
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:188.222
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.53
LogP (Chemaxon):2.29

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Descriptor Annotations

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