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Chemical ID: 4701081
Chemical ID:
4701081
Name [?]:
N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2,2-dimethyl-propanamide
SMILES [?]:
CC1(OC(=O)C(=CNC(=O)C(C)(C)C)C(=O)O1)C
InChi [?]:
InChI=1/C12H17NO5/c1-11(2,3)10(16)13-6-7-8(14)17-12(4,5)18-9(7)15/h6H,1-5H3,(H,13,16)
InChi Info:
AuxInfo=1/1/N:12,13,14,1,18,7,6,4,15,9,11,2,8,5,16,10,3,17/E:(1,2,3)(4,5)(8,9)(14,15)(17,18)/rA:18nCCOCOCCNCOCCCCCOOC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s9;s11;s11;s11;s6;d15;s2s15;s2;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO5 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.89984 |
Area: | 438.274 |
Solvation: | -3.05701 |
Coulombic: | -57.9971 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 255.267 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.26 |
LogP (Chemaxon): | 1.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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