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Chemical ID: 5151828
Chemical ID:
5151828
Name [?]:
tert-butyl 3-aziridin-1-ylpropanoate
SMILES [?]:
CC(C)(C)OC(=O)CCN1CC1
InChi [?]:
InChI=1/C9H17NO2/c1-9(2,3)12-8(11)4-5-10-6-7-10/h4-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,8,9,11,12,6,2,10,7,5/E:(1,2,3)(6,7)/rA:12nCCCCOCOCCNCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s10s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H17NO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.20778 |
Area: | 358.824 |
Solvation: | -1.76282 |
Coulombic: | -22.9022 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 171.237 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.01 |
LogP (Chemaxon): | 0.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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