Chemical ID: 7007117

CC(C)n1cc(cn1)C=O
Chemical ID:
7007117
Name [?]:
1-isopropylpyrazole-4-carbaldehyde
SMILES [?]:
CC(C)n1cc(cn1)C=O
InChi [?]:
InChI=1/C7H10N2O/c1-6(2)9-4-7(5-10)3-8-9/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,7,5,9,2,6,8,4,10/E:(1,2)/rA:10nCCCNCCCNCO/rB:s1;s2;s2;s4;d5;s6;s4d7;s6;d9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H10N2O
All Atoms:20
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:4.68958
Area:305.576
Solvation:-2.94983
Coulombic:-9.93321
Bond Count [?]
All:10
Single:7
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:138.167
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.09
LogP (Chemaxon):0.75

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Descriptor Annotations

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