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Chemical ID: 4952433
Chemical ID:
4952433
Name [?]:
7,10-dioxabicyclo[4.4.0]deca-2,4,11-trien-8-ylmethyl dimethylaminoformate
SMILES [?]:
CN(C)C(=O)OCC1COc2ccccc2O1
InChi [?]:
InChI=1/C12H15NO4/c1-13(2)12(14)16-8-9-7-15-10-5-3-4-6-11(10)17-9/h3-6,9H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,13,14,12,15,9,7,8,11,16,4,2,5,10,6,17/E:(1,2)/rA:17cCNCCOOCCCOCCCCCCO/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s8s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15NO4 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.09472 |
Area: | 422.739 |
Solvation: | -3.47376 |
Coulombic: | -46.2291 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 237.252 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.49 |
LogP (Chemaxon): | 1.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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