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Chemical ID: 4345241
Chemical ID:
4345241
Name [?]:
6-ethyl-7-hydroxy-4-methyl-chromen-2-one
SMILES [?]:
CCc1cc2c(cc(=O)oc2cc1O)C
InChi [?]:
InChI=1/C12H12O3/c1-3-8-5-9-7(2)4-12(14)15-11(9)6-10(8)13/h4-6,13H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,7,4,12,6,3,5,13,11,8,14,9,10/rA:15nCCCCCCCCOOCCCOC/rB:s1;s2;s3;d4;s5;d6;s7;d8;s8;s5s10;d11;d3s12;s13;s6;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H12O3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.5631 |
Area: | 369.661 |
Solvation: | -2.67841 |
Coulombic: | -34.7065 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 204.222 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.41 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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