Chemical ID: 4345241

CCc1cc2c(cc(=O)oc2cc1O)C
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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