Chemical ID: 4729688

CC(C)(C)C(=O)CC#N
Chemical ID:
4729688
Name [?]:
4,4-dimethyl-3-oxo-pentanenitrile
SMILES [?]:
CC(C)(C)C(=O)CC#N
InChi [?]:
InChI=1/C7H11NO/c1-7(2,3)6(9)4-5-8/h4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,8,5,2,9,6/E:(1,2,3)/rA:9nCCCCCOCCN/rB:s1;s2;s2;s2;d5;s5;s7;t8;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H11NO
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:4.58469
Area:295.641
Solvation:-2.80633
Coulombic:-8.58254
Bond Count [?]
All:8
Single:6
Double:1
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:125.168
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.82
LogP (Chemaxon):2.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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