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
2.0528 0.3005 -0.1034 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7287 -0.0985 0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3429 0.0695 -0.3033 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6690 -0.3045 0.1701 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7651 -0.8015 1.3194 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8091 -0.1306 -0.5986 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4710 -0.5769 -0.6636 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7715 0.5687 0.6869 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9403 1.1044 -0.8647 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6528 -0.5228 1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2778 0.4989 -1.3019 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7532 -0.1073 -0.1838 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