Chemical ID: 3990080

CCC(=O)c1ccc(cc1)OCC(=O)O
Chemical ID:
3990080
Name [?]:
2-(4-propanoylphenoxy)acetic acid
SMILES [?]:
CCC(=O)c1ccc(cc1)OCC(=O)O
InChi [?]:
InChI=1/C11H12O4/c1-2-10(12)8-3-5-9(6-4-8)15-7-11(13)14/h3-6H,2,7H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,10,7,9,12,5,8,3,13,4,14,15,11/E:(3,4)(5,6)(13,14)/rA:15nCCCOCCCCCCOCCOO/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12O4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:5.61402
Area:397.502
Solvation:-4.32353
Coulombic:-41.7667
Bond Count [?]
All:15
Single:10
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:208.211
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.41
LogP (Chemaxon):1.27

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Descriptor Annotations

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