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Chemical ID: 4943049
Chemical ID:
4943049
Name [?]:
2,2-dimethyl-1,3-dioxole-4,5-dicarboxamide
SMILES [?]:
CC1(OC(=C(O1)C(=O)N)C(=O)N)C
InChi [?]:
InChI=1/C7H10N2O4/c1-7(2)12-3(5(8)10)4(13-7)6(9)11/h1-2H3,(H2,8,10)(H2,9,11)
InChi Info:
AuxInfo=1/1/N:1,13,4,5,10,7,2,12,9,11,8,3,6/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)/gE:(1,2)/rA:13nCCOCCOCONCONC/rB:s1;s2;s3;d4;s2s5;s5;d7;s7;s4;d10;s10;s2;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H10N2O4 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.27093 |
Area: | 334.992 |
Solvation: | -3.10388 |
Coulombic: | -68.9953 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 186.165 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | -0.59 |
LogP (Chemaxon): | -1.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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