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Chemical ID: 5179969
Chemical ID:
5179969
Name [?]:
1-(4-hydroxy-1-naphthyl)ethanone
SMILES [?]:
CC(=O)c1ccc(c2c1cccc2)O
InChi [?]:
InChI=1/C12H10O2/c1-8(13)9-6-7-12(14)11-5-3-2-4-10(9)11/h2-7,14H,1H3
InChi Info:
AuxInfo=1/0/N:1,11,12,10,13,5,6,2,4,9,8,7,3,14/rA:14nCCOCCCCCCCCCCO/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;d10;s11;s8d12;s7;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.09187 |
Area: | 345.09 |
Solvation: | -2.53538 |
Coulombic: | -24.9943 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 186.207 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.72 |
LogP (Chemaxon): | 2.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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