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Chemical ID: 6633617

Chemical ID:

6633617

Name [?]:

diethyl 2-(3,4-dimethoxyphenyl)propanedioate

SMILES [?]:

CCOC(=O)C(c1ccc(c(c1)OC)OC)C(=O)OCC

InChi [?]:

InChI=1/C15H20O6/c1-5-20-14(16)13(15(17)21-6-2)10-7-8-11(18-3)12(9-10)19-4/h7-9,13H,5-6H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,21,16,14,2,20,8,9,12,7,10,11,6,4,17,5,18,15,13,3,19/E:(1,2)(5,6)(14,15)(16,17)(20,21)/rA:21nCCOCOCCCCCCCOCOCCOOCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;s13;s10;s15;s6;d17;s17;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₀O₆
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	6.21591
Area:	506.299
Solvation:	-6.44157
Coulombic:	-50.0494

Bond Count [?]

All:	21
Single:	16
Double:	5
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	296.316
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	2.42
LogP (Chemaxon):	1.71

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