Chemical ID: 5633834

c1cc(ccc1C=CC(=O)O)C=CC(=O)O
Chemical ID:
5633834
Name [?]:
3-[4-(2-carboxyvinyl)phenyl]prop-2-enoic acid
SMILES [?]:
c1cc(ccc1C=CC(=O)O)C=CC(=O)O
InChi [?]:
InChI=1/C12H10O4/c13-11(14)7-5-9-1-2-10(4-3-9)6-8-12(15)16/h1-8H,(H,13,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,5,4,7,12,8,13,6,3,9,14,10,11,15,16/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14,15,16)/gE:(1,2)/rA:16nCCCCCCCCCOOCCCOO/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s3;w12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10O4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.33843
Area:386.162
Solvation:-3.31563
Coulombic:-54.3872
Bond Count [?]
All:16
Single:9
Double:7
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:218.205
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.8
LogP (Chemaxon):2.26

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue