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Chemical ID: 4680606
Chemical ID:
4680606
Name [?]:
1-(cyclopropylidenemethyl)-4-methyl-benzene
SMILES [?]:
Cc1ccc(cc1)C=C2CC2
InChi [?]:
InChI=1/C11H12/c1-9-2-4-10(5-3-9)8-11-6-7-11/h2-5,8H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,10,11,8,2,5,9/E:(2,3)(4,5)(6,7)/rA:11nCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s9s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.43366 |
Area: | 322.529 |
Solvation: | -0.629568 |
Coulombic: | -2.47378 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 144.213 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.43 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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