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
-1.9764 0.3040 -0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5221 0.3363 0.2252 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2477 -0.5728 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6933 -0.5438 -0.0498 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4747 -1.3867 -0.5533 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2359 0.4192 0.7828 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0918 0.7133 -1.1063 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3442 -0.7538 -0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5778 0.8740 0.6639 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1473 1.1106 0.8835 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1676 -1.3101 -0.9683 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1756 0.8098 0.6305 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