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Chemical ID: 6723908
Chemical ID:
6723908
Name [?]:
3-[4-(2-carboxylatovinyl)phenyl]prop-2-enoate
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)/p-2
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:16nCCCCCCCCCOO-CCCOO-/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s3;w12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H8O4-2 |
All Atoms: | 24 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -95.7281 |
Area: | 380.513 |
Solvation: | -105.241 |
Coulombic: | 20.5846 |
Bond Count [?]
All: | 16 |
Single: | 9 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 216.19 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 0.83 |
LogP (Chemaxon): | 2.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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