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Chemical ID: 5633834
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
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Experimental Annotations
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Descriptor Annotations
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