Chemical ID: 6723908

c1cc(ccc1C=CC(=O)[O-])C=CC(=O)[O-]
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

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Descriptor Annotations

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