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
-1.3760 0.7532 -0.5402 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0838 -0.5567 0.0893 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1168 -0.9369 0.4267 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2891 -0.0820 0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1550 1.0468 -0.3213 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5549 -0.5020 0.5690 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4369 0.8634 -0.7804 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8342 0.8723 -1.5223 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0636 1.5785 0.1562 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9303 -1.2098 0.2657 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2325 -1.9263 0.8876 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3762 0.0996 0.5359 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