Chemical ID: 5034224

CC=CCc1ccccc1OCC(=O)O
Chemical ID:
5034224
Name [?]:
2-(2-but-2-enylphenoxy)acetic acid
SMILES [?]:
CC=CCc1ccccc1OCC(=O)O
InChi [?]:
InChI=1/C12H14O3/c1-2-3-6-10-7-4-5-8-11(10)15-9-12(13)14/h2-5,7-8H,6,9H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,3,7,8,4,6,9,12,5,10,13,14,15,11/E:(13,14)/rA:15nCCCCCCCCCCOCCOO/rB:s1;w2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.78184
Area:401.347
Solvation:-3.25185
Coulombic:-36.4251
Bond Count [?]
All:15
Single:10
Double:5
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:206.238
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.92
LogP (Chemaxon):2.73

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