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Chemical ID: 6883703

CCOc1ccc(cc1)C(=O)Oc2ccc3c(c2)occ(c3=O)Oc4cccc(c4)C

Chemical ID:

6883703

Name [?]:

[3-(3-methylphenoxy)-4-oxo-chromen-7-yl] 4-ethoxybenzoate

SMILES [?]:

CCOc1ccc(cc1)C(=O)Oc2ccc3c(c2)occ(c3=O)Oc4cccc(c4)C

InChi [?]:

InChI=1/C25H20O6/c1-3-28-18-9-7-17(8-10-18)25(27)31-20-11-12-21-22(14-20)29-15-23(24(21)26)30-19-6-4-5-16(2)13-19/h4-15H,3H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,31,2,27,28,26,6,8,5,9,14,15,30,18,20,29,7,4,25,13,16,17,21,22,10,23,11,3,19,24,12/E:(7,8)(9,10)/rA:31nCCOCCCCCCCOOCCCCCCOCCCOOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s19;d20;s16s21;d22;s21;s24;s25;d26;s27;d28;d25s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₀O₆
All Atoms:	51
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	11.5342
Area:	654.61
Solvation:	-4.83106
Coulombic:	-52.6024

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	416.423
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	5.76
LogP (Chemaxon):	5.39

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