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Chemical ID: 4237491

Chemical ID:

4237491

Name [?]:

7-methoxy-3-(4-methoxyphenoxy)-2-methyl-chromen-4-one

SMILES [?]:

Cc1c(c(=O)c2ccc(cc2o1)OC)Oc3ccc(cc3)OC

InChi [?]:

InChI=1/C18H16O5/c1-11-18(23-13-6-4-12(20-2)5-7-13)17(19)15-9-8-14(21-3)10-16(15)22-11/h4-10H,1-3H3

InChi Info:

AuxInfo=1/0/N:1,23,14,18,20,17,21,8,7,10,2,19,16,9,6,11,4,3,5,22,13,12,15/E:(4,5)(6,7)/rA:23nCCCCOCCCCCCOOCOCCCCCCOC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s9;s13;s3;s15;s16;d17;s18;d19;d16s20;s19;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₆O₅
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	7.27944
Area:	495.308
Solvation:	-5.10326
Coulombic:	-38.6175

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	312.317
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	3.55
LogP (Chemaxon):	3.11

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value