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Chemical ID: 3966580
Chemical ID:
3966580
Name [?]:
(1-ethynylcyclohexyl) aminoformate
SMILES [?]:
C#CC1(CCCCC1)OC(=O)N
InChi [?]:
InChI=1/C9H13NO2/c1-2-9(12-8(10)11)6-4-3-5-7-9/h1H,3-7H2,(H2,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,6,5,7,4,8,10,3,12,11,9/E:(4,5)(6,7)/rA:12nCCCCCCCCOCON/rB:t1;s2;s3;s4;s5;s6;s3s7;s3;s9;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H13NO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.65136 |
Area: | 324.668 |
Solvation: | -1.46535 |
Coulombic: | -41.0133 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 1 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 167.205 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.21 |
LogP (Chemaxon): | 1.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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