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Chemical ID: 6423500
Chemical ID:
6423500
Name [?]:
5,7-dihydroxy-2-methyl-chromen-4-one
SMILES [?]:
Cc1cc(=O)c2c(cc(cc2o1)O)O
InChi [?]:
InChI=1/C10H8O4/c1-5-2-7(12)10-8(13)3-6(11)4-9(10)14-5/h2-4,11,13H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,8,10,2,9,4,7,11,6,13,5,14,12/rA:14nCCCCOCCCCCCOOO/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s9;s7;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H8O4 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.52171 |
Area: | 340.631 |
Solvation: | -3.99408 |
Coulombic: | -45.003 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 192.168 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.1 |
LogP (Chemaxon): | 2.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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