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Chemical ID: 4565010
Chemical ID:
4565010
Name [?]:
7-hydroxy-3-(2-methoxyphenyl)-2-methyl-chromen-4-one
SMILES [?]:
Cc1c(c(=O)c2ccc(cc2o1)O)c3ccccc3OC
InChi [?]:
InChI=1/C17H14O4/c1-10-16(12-5-3-4-6-14(12)20-2)17(19)13-8-7-11(18)9-15(13)21-10/h3-9,18H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,16,17,15,18,8,7,10,2,9,14,6,19,11,3,4,13,5,20,12/rA:21nCCCCOCCCCCCOOCCCCCCOC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s9;s3;s14;d15;s16;d17;d14s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14O4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.31357 |
Area: | 459.354 |
Solvation: | -4.17027 |
Coulombic: | -39.7708 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 282.291 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.28 |
LogP (Chemaxon): | 3.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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