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Chemical ID: 3990186
Chemical ID:
3990186
Name [?]:
4-(4-ethoxyphenoxy)butanoic acid
SMILES [?]:
CCOc1ccc(cc1)OCCCC(=O)O
InChi [?]:
InChI=1/C12H16O4/c1-2-15-10-5-7-11(8-6-10)16-9-3-4-12(13)14/h5-8H,2-4,9H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,12,13,5,9,6,8,11,4,7,14,15,16,3,10/E:(5,6)(7,8)(13,14)/rA:16nCCOCCCCCCOCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16O4 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.39924 |
Area: | 435.551 |
Solvation: | -4.48953 |
Coulombic: | -40.0119 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 224.253 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.17 |
LogP (Chemaxon): | 1.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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