Chemical ID: 7179109

CCC(C(=O)O)Oc1cccc(c1)C
Chemical ID:
7179109
Name [?]:
2-(3-methylphenoxy)butanoic acid
SMILES [?]:
CCC(C(=O)O)Oc1cccc(c1)C
InChi [?]:
InChI=1/C11H14O3/c1-3-10(11(12)13)14-9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,14,2,10,11,9,13,12,8,3,4,5,6,7/E:(12,13)/rA:14cCCCCOOOCCCCCCC/rB:s1;s2;s3;d4;s4;s3;s7;s8;d9;s10;d11;d8s12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14O3
All Atoms:28
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:6.72728
Area:370.796
Solvation:-2.54261
Coulombic:-36.6956
Bond Count [?]
All:14
Single:10
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:194.227
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.64
LogP (Chemaxon):2.81

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