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Chemical ID: 6879794

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccco3)OCC(=O)OCc4ccccc4

Chemical ID:

6879794

Name [?]:

benzyl 2-[2-(2-furyl)-6-methyl-4-oxo-chromen-3-yl]oxyacetate

SMILES [?]:

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccco3)OCC(=O)OCc4ccccc4

InChi [?]:

InChI=1/C23H18O6/c1-15-9-10-18-17(12-15)21(25)23(22(29-18)19-8-5-11-26-19)28-14-20(24)27-13-16-6-3-2-4-7-16/h2-12H,13-14H2,1H3

InChi Info:

AuxInfo=1/0/N:1,27,26,28,15,25,29,14,3,4,16,7,23,19,2,24,6,5,13,20,8,11,10,21,9,17,22,18,12/E:(3,4)(6,7)/rA:29nCCCCCCCCOCCOCCCCOOCCOOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s14;d15;s13s16;s10;s18;s19;d20;s20;s22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₈O₆
All Atoms:	47
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	9.81216
Area:	611.176
Solvation:	-5.46723
Coulombic:	-53.282

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	390.385
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.42
LogP (Chemaxon):	4.13

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value