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Chemical ID: 4985912
Chemical ID:
4985912
Name [?]:
2-ethyl-6-hydroxy-indan-1-one
SMILES [?]:
CCC1Cc2ccc(cc2C1=O)O
InChi [?]:
InChI=1/C11H12O2/c1-2-7-5-8-3-4-9(12)6-10(8)11(7)13/h3-4,6-7,12H,2,5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,7,4,9,3,5,8,10,11,13,12/rA:13cCCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3s10;d11;s8;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.01314 |
Area: | 338.914 |
Solvation: | -2.45971 |
Coulombic: | -24.4336 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 176.212 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.99 |
LogP (Chemaxon): | 2.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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