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
-1.2280 0.7706 -0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9691 -0.6621 0.1816 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2214 -1.2189 0.1433 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3728 -0.3788 -0.1184 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5483 -0.8847 -0.1633 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3263 0.9895 -0.3365 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6771 1.3449 0.7727 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8817 1.0610 -1.0382 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3173 0.9541 0.0977 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8462 -1.3119 0.3823 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3372 -2.2741 0.3026 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1133 1.6103 -0.1999 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