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Chemical ID: 6683817
Chemical ID:
6683817
Name [?]:
4-(3-dimethylaminopropoxy)benzaldehyde
SMILES [?]:
CN(C)CCCOc1ccc(cc1)C=O
InChi [?]:
InChI=1/C12H17NO2/c1-13(2)8-3-9-15-12-6-4-11(10-14)5-7-12/h4-7,10H,3,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,5,10,12,9,13,4,6,14,11,8,2,15,7/E:(1,2)(4,5)(6,7)/rA:15nCNCCCCOCCCCCCCO/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.54053 |
Area: | 419.127 |
Solvation: | -3.93765 |
Coulombic: | -19.4827 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 207.269 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.84 |
LogP (Chemaxon): | 1.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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