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
   -1.8286    1.1667   -0.5343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5768    0.3391    0.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3571   -0.2828    0.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7577   -0.8511    0.9027 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8840   -0.6179   -0.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -1.1711    0.1314 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7523    0.2025   -1.1609 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7696    1.6285   -0.6770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0257    1.3486   -1.2323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4939    0.2443    1.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8436   -0.9739    1.8457 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -1.5254    1.7351 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5303    0.4925   -1.7363 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