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
-1.9920 0.3471 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5241 0.3822 0.1708 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2452 -0.5797 -0.2713 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6901 -0.5254 -0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4265 -1.4269 -0.5256 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3125 0.5616 0.5208 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3952 -0.6670 0.2128 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4796 1.1255 0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2044 0.5801 -1.0577 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0826 1.2273 0.6595 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1827 -1.4452 -0.7696 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1862 0.4203 1.0500 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