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Chemical ID: 4558277

Chemical ID:

4558277

Name [?]:

ethyl 2-(4-oxo-3-phenoxy-chromen-7-yl)oxyacetate

SMILES [?]:

CCOC(=O)COc1ccc2c(c1)occ(c2=O)Oc3ccccc3

InChi [?]:

InChI=1/C19H16O6/c1-2-22-18(20)12-23-14-8-9-15-16(10-14)24-11-17(19(15)21)25-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,23,22,24,21,25,9,10,13,15,6,20,8,11,12,16,4,17,5,18,3,7,14,19/E:(4,5)(6,7)/rA:25nCCOCOCOCCCCCCOCCCOOCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s12;s14;d15;s11s16;d17;s16;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₆O₆
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	8.44017
Area:	555.076
Solvation:	-5.43674
Coulombic:	-51.2414

Bond Count [?]

All:	27
Single:	18
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	340.327
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	3.53
LogP (Chemaxon):	3.26

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