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
   -1.4591    0.6465   -0.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9910   -0.7397   -0.4495 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2850   -1.0052   -0.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2568    0.0664   -0.4244 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9810    1.2800   -0.3027 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6215   -0.2364   -0.4845 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1904    1.3192   -1.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5924    0.6437   -0.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1361    1.1355    0.6438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6860   -1.5612   -0.5116 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6198   -2.0234   -0.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2908    0.4746   -0.6590 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