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
   -1.6518    1.5326    0.5702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5227    0.2068    0.8232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4457   -0.4513    0.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5473   -1.0581   -0.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5192   -0.2544   -0.9397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3207    0.9608   -1.0838 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6237   -0.8486   -1.5057 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4856    2.0795    0.9562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9384    2.0699   -0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3801   -0.1601    1.4468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8700   -1.6553    0.9168 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8489   -2.1233   -0.0873 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4346   -0.2985   -1.7011 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