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
-2.0035 0.1693 0.6481 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7851 0.1263 -0.2268 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3882 -0.1460 0.3056 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5619 -0.1851 -0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4779 0.0375 -1.7981 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8366 -0.4635 -0.0764 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8239 0.9101 1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8689 0.3975 0.0235 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1400 -0.8427 1.0897 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8424 0.3133 -1.2868 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5257 -0.3452 1.3642 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6736 0.0283 -0.4252 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