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Chemical ID: 6636341
Chemical ID:
6636341
Name [?]:
4-dimethylamino-2-methoxy-benzaldehyde
SMILES [?]:
CN(C)c1ccc(c(c1)OC)C=O
InChi [?]:
InChI=1/C10H13NO2/c1-11(2)9-5-4-8(7-12)10(6-9)13-3/h4-7H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,11,6,5,9,12,7,4,8,2,13,10/E:(1,2)/rA:13nCNCCCCCCCOCCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;s10;s7;d12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.92353 |
Area: | 353.95 |
Solvation: | -2.92522 |
Coulombic: | -21.2502 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 179.216 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.84 |
LogP (Chemaxon): | 1.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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