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Chemical ID: 4472213
Chemical ID:
4472213
Name [?]:
2-(2-morpholinoethoxy)benzaldehyde
SMILES [?]:
c1ccc(c(c1)C=O)OCCN2CCOCC2
InChi [?]:
InChI=1/C13H17NO3/c15-11-12-3-1-2-4-13(12)17-10-7-14-5-8-16-9-6-14/h1-4,11H,5-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,13,17,11,14,16,10,7,5,4,12,8,15,9/E:(5,6)(8,9)/rA:17nCCCCCCCOOCCNCCOCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4;s9;s10;s11;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17NO3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.08012 |
Area: | 429.19 |
Solvation: | -4.64963 |
Coulombic: | -28.2339 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 235.279 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.09 |
LogP (Chemaxon): | 1.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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