Monomers

Crotonic acid

Identifiers

IUPAC name
(E)-but-2-enoic acid
InchI
InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+
InchI Key
LDHQCZJRKDOVOX-NSCUHMNNSA-N
SMILES
C/C=C/C(=O)O
Canonical SMILES
CC=CC(=O)O
Isomeric SMILES
C/C=C/C(=O)O
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H6O2
Heavy Atom Count
6
Molecular Weight
86.09
Exact Molecular Weight
86.0368
Valence Electrons
34
Radical Electrons
0
tPSA
37.3
MolLogP
0.6471
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

 12 11  0  0  0  0  0  0  0  0999 V2000
   -1.9764    0.3040   -0.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5221    0.3363    0.2252 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2477   -0.5728   -0.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6933   -0.5438   -0.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4747   -1.3867   -0.5533 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2359    0.4192    0.7828 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0918    0.7133   -1.1063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3442   -0.7538   -0.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5778    0.8740    0.6639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1473    1.1106    0.8835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1676   -1.3101   -0.9683 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1756    0.8098    0.6305 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  3 11  1  0
  6 12  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers