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
-2.0561 0.1316 0.4844 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6769 -0.4205 0.4074 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3282 0.3386 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6737 -0.2145 -0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8760 -1.4070 0.2538 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7548 0.5244 -0.4974 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0993 1.1043 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3711 0.3246 1.5355 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7270 -0.6326 0.0131 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5527 -1.4491 0.7015 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1306 1.3661 -0.2867 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7198 0.3343 -0.2574 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