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
   -2.7559    0.0121   -0.4218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6219   -0.7172   -0.5131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759   -0.0540   -0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5909    0.4605    0.2785 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0429    0.0877    0.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3441   -1.0515   -0.0305 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0056    0.9078    0.8353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7122   -0.3775   -0.7254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6211    1.0084   -0.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6703   -1.6891   -0.8932 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3611   -1.2247   -0.4108 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4602    1.5752    0.6744 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9525    1.0623    0.4632 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