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Chemical ID: 6685157

Chemical ID:

6685157

Name [?]:

dipropyl pyridine-2,5-dicarboxylate

SMILES [?]:

CCCOC(=O)c1ccc(nc1)C(=O)OCCC

InChi [?]:

InChI=1/C13H17NO4/c1-3-7-17-12(15)10-5-6-11(14-9-10)13(16)18-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,18,2,17,8,9,3,16,12,7,10,5,13,11,6,14,4,15/rA:18nCCCOCOCCCCNCCOOCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₇NO₄
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	9.52728
Area:	482.468
Solvation:	-2.53442
Coulombic:	-46.3208

Bond Count [?]

All:	18
Single:	13
Double:	5
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	251.278
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	2.29
LogP (Chemaxon):	1.85

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

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Chemical Mix	Source	External ID	Descriptor	Value