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
   -1.9594   -0.5455   -0.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4795   -0.4591   -0.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1699    0.6883   -0.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6221    0.7365   -0.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2745    1.8087   -0.1222 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3666   -0.4415   -0.0940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3654   -1.0482    0.7664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3449    0.5091   -0.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2517   -1.0321   -1.0766 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0737   -1.3890   -0.1015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3795    1.6138   -0.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2737   -0.4411    0.3502 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