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
-1.9906 0.2788 0.2546 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5169 0.4181 0.3266 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2324 -0.6284 0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6727 -0.4897 0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3675 -1.5118 0.8377 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3200 0.7265 0.4585 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4518 1.0423 -0.4097 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2227 -0.7080 -0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4628 0.3131 1.2689 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0440 1.3742 0.1965 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2309 -1.5883 0.6823 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3270 0.7731 0.2434 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