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Chemical ID: 4728181
Chemical ID:
4728181
Name [?]:
N-(2,2-dimethoxyethyl)oxamide
SMILES [?]:
COC(CNC(=O)C(=O)N)OC
InChi [?]:
InChI=1/C6H12N2O4/c1-11-4(12-2)3-8-6(10)5(7)9/h4H,3H2,1-2H3,(H2,7,9)(H,8,10)
InChi Info:
AuxInfo=1/1/N:1,12,4,3,8,6,10,5,9,7,2,11/E:(1,2)(11,12)/rA:12nCOCCNCOCONOC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s8;s3;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H12N2O4 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.18411 |
Area: | 353.075 |
Solvation: | -4.64278 |
Coulombic: | -65.5045 |
Bond Count [?]
All: | 11 |
Single: | 9 |
Double: | 2 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 176.171 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | -1.83 |
LogP (Chemaxon): | -1.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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