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Chemical ID: 6432694

Chemical ID:

6432694

Name [?]:

5-imidazolidin-2-ylidene-2,2-dimethyl-1,3-dioxane-4,6-dione

SMILES [?]:

CC1(OC(=O)C(=C2NCCN2)C(=O)O1)C

InChi [?]:

InChI=1/C9H12N2O4/c1-9(2)14-7(12)5(8(13)15-9)6-10-3-4-11-6/h10-11H,3-4H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,15,9,10,6,7,4,12,2,8,11,5,13,3,14/E:(1,2)(3,4)(7,8)(10,11)(12,13)(14,15)/rA:15nCCOCOCCNCCNCOOC/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s7s10;s6;d12;s2s12;s2;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₉H₁₂N₂O₄
All Atoms:	15
Heavy Atoms:	15
Chiral Atoms:	0

ZAP Information [?]

Total:	6.1498
Area:	351.005
Solvation:	-2.62534
Coulombic:	-59.5605

Bond Count [?]

All:	16
Single:	13
Double:	3
Rotors:	0
Chiral:	0
Rigid Segments:	1

Chemical Properties

Molecular Weight:	212.203
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	0.83
LogP (Chemaxon):	0.14

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value