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
-1.9843 0.1760 -0.2298 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5332 0.3246 0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2888 -0.5371 -0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7274 -0.4249 -0.3189 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5284 -1.2462 -0.8345 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2284 0.6103 0.4701 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2347 -0.9157 -0.3189 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3203 0.7564 -1.1109 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5806 0.5526 0.6431 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1990 1.1420 0.6278 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1096 -1.3311 -1.1385 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1888 0.8933 0.3102 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