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Chemical ID: 6681203
Chemical ID:
6681203
Name [?]:
2,5-bis(methoxymethyl)pyrrolidine
SMILES [?]:
COCC1CCC(N1)COC
InChi [?]:
InChI=1/C8H17NO2/c1-10-5-7-3-4-8(9-7)6-11-2/h7-9H,3-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,5,6,3,9,4,7,8,2,10/E:(1,2)(3,4)(5,6)(7,8)(10,11)/rA:11cCOCCCCCNCOC/rB:s1;s2;s3;s4;s5;s6;s4s7;s7;s9;s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H17NO2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 3.87906 |
Area: | 343.221 |
Solvation: | -4.70147 |
Coulombic: | -22.9876 |
Bond Count [?]
All: | 11 |
Single: | 11 |
Double: | 0 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 159.226 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.02 |
LogP (Chemaxon): | -0.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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