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Chemical ID: 6879620

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OC(=O)C4COc5ccccc5O4

Chemical ID:

6879620

Name [?]:

[2-(4-methoxyphenyl)-6-methyl-4-oxo-chromen-3-yl] 7,10-dioxabicyclo[4.4.0]deca-2,4,11-triene-8-carboxylate

SMILES [?]:

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OC(=O)C4COc5ccccc5O4

InChi [?]:

InChI=1/C26H20O7/c1-15-7-12-19-18(13-15)23(27)25(24(32-19)16-8-10-17(29-2)11-9-16)33-26(28)22-14-30-20-5-3-4-6-21(20)31-22/h3-13,22H,14H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,20,29,30,28,31,3,14,18,15,17,4,7,25,2,13,16,6,5,27,32,24,8,11,10,22,9,23,19,26,33,12,21/E:(8,9)(10,11)/rA:33cCCCCCCCCOCCOCCCCCCOCOCOCCOCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s16;s19;s10;s21;d22;s22;s24;s25;s26;s27;d28;s29;d30;d27s31;s24s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₀O₇
All Atoms:	53
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	10.7557
Area:	651.998
Solvation:	-5.54427
Coulombic:	-62.6398

Bond Count [?]

All:	37
Single:	25
Double:	12
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	444.433
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	5.3
LogP (Chemaxon):	4.6

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