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
-1.9827 -0.2281 -0.3815 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6057 0.2359 -0.1566 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4206 -0.5643 0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7632 -0.0640 0.2715 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6929 -0.8805 0.4658 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0915 1.2799 0.2789 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7454 0.4890 -0.0793 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1118 -0.3952 -1.4799 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1191 -1.1920 0.1549 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4162 1.2946 -0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2528 -1.6285 0.0644 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7600 1.6533 0.9707 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