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Chemical ID: 6531886
Chemical ID:
6531886
Name [?]:
2-(1,7-dimethyl-2-oxo-norbornan-7-yl)acetonitrile
SMILES [?]:
CC12CCC(C1(C)CC#N)CC2=O
InChi [?]:
InChI=1/C11H15NO/c1-10(5-6-12)8-3-4-11(10,2)9(13)7-8/h8H,3-5,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:7,1,4,3,8,9,11,5,12,6,2,10,13/rA:13cCCCCCCCCCNCCO/rB:s1;s2;s3;s4;s2s5;s6;s6;s8;t9;s5;s2s11;d12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15NO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 6.1574 |
Area: | 337.383 |
Solvation: | -2.27716 |
Coulombic: | -9.61147 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 1 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 177.243 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.14 |
LogP (Chemaxon): | 2.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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