Monomers

CID 95516

Identifiers

IUPAC name
penta-2,4-dienoic acid
InchI
InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h2-4H,1H2,(H,6,7)
InchI Key
SDVVLIIVFBKBMG-UHFFFAOYSA-N
SMILES
C=CC=CC(=O)O
Canonical SMILES
C=CC=CC(=O)O
Isomeric SMILES
C=CC=CC(=O)O
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H6O2
Heavy Atom Count
7
Molecular Weight
98.101
Exact Molecular Weight
98.0368
Valence Electrons
38
Radical Electrons
0
tPSA
37.3
MolLogP
0.8132
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -2.6073    0.5096   -0.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6103   -0.3251   -0.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2220    0.0976   -0.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7607   -0.7744    0.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1514   -0.3562    0.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0975   -1.1418    0.3771 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4420    1.0098    0.2593 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4231    1.5617   -0.2925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6041    0.1504   -0.3941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8214   -1.3890   -0.1639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0017    1.1528   -0.0151 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5129   -1.8210    0.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3254    1.3254   -0.1622 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  0
  5  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  3 11  1  0
  4 12  1  0
  7 13  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers