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Chemical ID: 4554161
Chemical ID:
4554161
Name [?]:
7-hydroxy-3,4-dimethyl-chromen-2-one
SMILES [?]:
Cc1c(c(=O)oc2c1ccc(c2)O)C
InChi [?]:
InChI=1/C11H10O3/c1-6-7(2)11(13)14-10-5-8(12)3-4-9(6)10/h3-5,12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,10,9,12,2,3,11,8,7,4,13,5,6/rA:14nCCCCOOCCCCCCOC/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s11;s3;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.9033 |
Area: | 341.71 |
Solvation: | -2.63946 |
Coulombic: | -34.7835 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 190.195 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.87 |
LogP (Chemaxon): | 2.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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