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Chemical ID: 4701078
Chemical ID:
4701078
Name [?]:
N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-3-methoxy-benzamide
SMILES [?]:
CC1(OC(=O)C(=CNC(=O)c2cccc(c2)OC)C(=O)O1)C
InChi [?]:
InChI=1/C15H15NO6/c1-15(2)21-13(18)11(14(19)22-15)8-16-12(17)9-5-4-6-10(7-9)20-3/h4-8H,1-3H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,22,18,13,12,14,16,7,11,15,6,9,4,19,2,8,10,5,20,17,3,21/E:(1,2)(13,14)(18,19)(21,22)/rA:22nCCOCOCCNCOCCCCCCOCCOOC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s17;s6;d19;s2s19;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15NO6 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.89003 |
Area: | 498.516 |
Solvation: | -4.57287 |
Coulombic: | -65.8624 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 305.283 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.15 |
LogP (Chemaxon): | 1.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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