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
   -2.3725    1.1922    0.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6466    0.0886    0.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1995    0.1243    0.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5324   -0.9851    0.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9706   -0.8806   -0.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6593   -1.9188   -0.0959 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5941    0.3445   -0.2050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9070    2.1612    0.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    1.1806    0.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1214   -0.8735    0.2337 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2780    1.0856   -0.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0736   -1.9637    0.1132 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5848    0.4445   -0.4566 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