Chemical ID: 4146297

CCCc1ccc(cc1)OCC(=O)O
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

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Experimental Annotations

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Descriptor Annotations

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