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
-2.0525 0.0945 0.5832 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6892 -0.4598 0.4978 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3373 0.3387 0.2825 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7037 -0.1695 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8810 -1.4000 0.3236 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8135 0.6178 -0.0323 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1286 0.9628 1.2794 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8053 -0.6881 0.7964 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3419 0.5161 -0.4219 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4980 -1.5148 0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1373 1.4066 0.1727 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6427 0.2957 -0.5233 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