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
-1.9669 0.0615 0.6609 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8055 0.2283 -0.2312 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3999 -0.0183 0.2243 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5890 0.1277 -0.6075 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4350 0.5020 -1.7942 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8662 -0.1288 -0.1407 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8531 0.6332 0.3171 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7232 0.4108 1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2420 -1.0213 0.6339 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9366 0.5425 -1.2267 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5676 -0.3490 1.2635 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6696 -0.1780 -0.7635 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