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Chemical ID: 4675636
Chemical ID:
4675636
Name [?]:
non-2-en-4-ynyl acetate
SMILES [?]:
CCCCC#CC=CCOC(=O)C
InChi [?]:
InChI=1/C11H16O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h8-9H,3-5,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,3,4,5,6,7,8,9,11,12,10/rA:13nCCCCCCCCCOCOC/rB:s1;s2;s3;s4;t5;s6;w7;s8;s9;s10;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.56246 |
Area: | 416.787 |
Solvation: | -1.85722 |
Coulombic: | -19.3179 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 180.244 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.31 |
LogP (Chemaxon): | 2.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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