Chemical ID: 6328638

COC(=O)C(=C1CC1)C#N
Chemical ID:
6328638
Name [?]:
methyl 2-cyclopropylidene-3-nitrido-propanoate
SMILES [?]:
COC(=O)C(=C1CC1)C#N
InChi [?]:
InChI=1/C7H7NO2/c1-10-7(9)6(4-8)5-2-3-5/h2-3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,9,6,5,3,10,4,2/E:(2,3)/rA:10nCOCOCCCCCN/rB:s1;s2;d3;s3;d5;s6;s6s7;s5;t9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H7NO2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.07405
Area:312.987
Solvation:-1.75062
Coulombic:-22.6188
Bond Count [?]
All:10
Single:7
Double:2
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:137.136
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.79
LogP (Chemaxon):0.46

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Descriptor Annotations

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