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
-1.9962 -0.2084 -0.1783 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5649 -0.3566 0.1457 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2734 0.5856 -0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6711 0.4457 0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5155 1.3316 -0.2372 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2083 -0.6502 0.7769 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1268 -0.4610 -1.2625 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2508 0.8715 0.0027 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5905 -0.8637 0.4705 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2263 -1.2248 0.6706 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0459 1.4758 -0.7519 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1331 -0.9456 0.4863 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