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
-1.9874 -0.3639 -0.0825 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4999 -0.3416 -0.2585 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2285 0.6489 0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6643 0.6408 0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4239 1.5501 0.4092 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2847 -0.4275 -0.6581 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3075 0.3644 0.6709 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4196 -0.2165 -1.0809 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2847 -1.3772 0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0891 -1.2020 -0.7825 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2343 1.4702 0.7018 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2210 -0.7457 -0.4163 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