Chemical ID: 4559506

Cc1cc(=O)oc2c1cc(c(c2)O)C=O
Chemical ID:
4559506
Name [?]:
7-hydroxy-4-methyl-2-oxo-chromene-6-carbaldehyde
SMILES [?]:
Cc1cc(=O)oc2c1cc(c(c2)O)C=O
InChi [?]:
InChI=1/C11H8O4/c1-6-2-11(14)15-10-4-9(13)7(5-12)3-8(6)10/h2-5,13H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,9,12,14,2,10,8,11,7,4,15,13,5,6/rA:15nCCCCOOCCCCCCOCO/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s11;s10;d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H8O4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:3.99898
Area:356.555
Solvation:-4.91489
Coulombic:-39.1408
Bond Count [?]
All:16
Single:10
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:204.179
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.85
LogP (Chemaxon):2.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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