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Chemical ID: 4387351

Chemical ID:

4387351

Name [?]:

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

SMILES [?]:

CCCc1ccc(cc1)Oc2c(oc3cc(ccc3c2=O)OC)C

InChi [?]:

InChI=1/C20H20O4/c1-4-5-14-6-8-15(9-7-14)24-20-13(2)23-18-12-16(22-3)10-11-17(18)19(20)21/h6-12H,4-5H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,24,23,2,3,5,9,6,8,17,18,15,12,4,7,16,19,14,20,11,21,22,13,10/E:(6,7)(8,9)/rA:24nCCCCCCCCCOCCOCCCCCCCOOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;s13;s14;d15;s16;d17;d14s18;s11s19;d20;s16;s22;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₀O₄
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	9.45616
Area:	528.808
Solvation:	-3.76405
Coulombic:	-33.1355

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	324.37
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	5.11
LogP (Chemaxon):	4.62

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