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
-2.0038 0.1699 -0.1839 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5532 0.4143 -0.1798 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2850 -0.5937 -0.2099 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7268 -0.4394 -0.2083 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4481 -1.4500 -0.2383 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2920 0.8119 -0.1738 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2106 -0.9370 -0.2712 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5566 0.7358 -0.9445 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3866 0.5003 0.8214 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1940 1.4238 -0.1518 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1564 -1.6021 -0.2377 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3093 0.9663 -0.1097 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