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Chemical ID: 4146297
Chemical ID:
4146297
Name [?]:
2-(4-propylphenoxy)acetic acid
SMILES [?]:
CCCc1ccc(cc1)OCC(=O)O
InChi [?]:
InChI=1/C11H14O3/c1-2-3-9-4-6-10(7-5-9)14-8-11(12)13/h4-7H,2-3,8H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,3,5,9,6,8,11,4,7,12,13,14,10/E:(4,5)(6,7)(12,13)/rA:14nCCCCCCCCCOCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.4833 |
Area: | 387.791 |
Solvation: | -3.21149 |
Coulombic: | -35.427 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 194.227 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.79 |
LogP (Chemaxon): | 2.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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