Chemical ID: 4472213

c1ccc(c(c1)C=O)OCCN2CCOCC2
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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