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
-2.0129 0.2089 -0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5341 0.3334 -0.0907 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2523 -0.5220 0.5022 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7044 -0.4328 0.4549 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4328 -1.2683 1.0336 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3482 0.5874 -0.2374 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3079 -0.2592 0.9649 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3929 -0.4275 -0.8467 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5004 1.2043 -0.1473 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1429 1.1673 -0.6578 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1916 -1.3385 1.0568 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3449 0.7470 -0.1057 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