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Chemical ID: 6423664
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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