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Chemical ID: 5034224
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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