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Chemical ID: 4559506
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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