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
1.1371 -0.7792 0.4041 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9195 0.6686 0.4095 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1966 1.1945 -0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2865 0.3956 -0.5871 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3224 0.9435 -1.0074 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2023 -0.9819 -0.6467 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1268 -0.9988 0.8803 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3903 -1.3540 1.0047 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1158 -1.1700 -0.6422 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6861 1.3126 0.7942 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2964 2.2763 -0.0162 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0713 -1.5072 -0.5452 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