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Chemical ID: 6423526

Chemical ID:

6423526

Name [?]:

2-(3,4,5-trimethoxyphenoxy)benzoic acid

SMILES [?]:

COc1cc(cc(c1OC)OC)Oc2ccccc2C(=O)O

InChi [?]:

InChI=1/C16H16O6/c1-19-13-8-10(9-14(20-2)15(13)21-3)22-12-7-5-4-6-11(12)16(17)18/h4-9H,1-3H3,(H,17,18)

InChi Info:

AuxInfo=1/1/N:1,12,10,17,16,18,15,4,6,5,19,14,3,7,8,20,21,22,2,11,9,13/E:(1,2)(8,9)(13,14)(17,18)(19,20)/rA:22nCOCCCCCCOCOCOCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₆O₆
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	5.1516
Area:	486.757
Solvation:	-7.01732
Coulombic:	-55.9677

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	304.295
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	2.46
LogP (Chemaxon):	2.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value