Chemical ID: 4734115

c1ccc(cc1)C=CC(=O)c2ccc(cc2)OCC(=O)O
Chemical ID:
4734115
Name [?]:
2-[4-(3-phenylprop-2-enoyl)phenoxy]acetic acid
SMILES [?]:
c1ccc(cc1)C=CC(=O)c2ccc(cc2)OCC(=O)O
InChi [?]:
InChI=1/C17H14O4/c18-16(11-6-13-4-2-1-3-5-13)14-7-9-15(10-8-14)21-12-17(19)20/h1-11H,12H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,7,12,16,13,15,8,18,4,11,14,9,19,10,20,21,17/E:(2,3)(4,5)(7,8)(9,10)(19,20)/rA:21nCCCCCCCCCOCCCCCCOCCOO/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14O4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.33168
Area:488.168
Solvation:-4.87251
Coulombic:-44.0111
Bond Count [?]
All:22
Single:13
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:282.291
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.14
LogP (Chemaxon):3.3

Name Annotations

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Descriptor Annotations

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