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
-1.9826 0.3555 -0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5314 0.4094 -0.2955 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2393 -0.6534 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6837 -0.6318 -0.3443 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3376 -1.6902 -0.2445 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4062 0.5271 -0.5879 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4570 -0.5334 -0.5754 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4394 1.2347 -0.6913 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2561 0.5159 0.9182 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0323 1.3553 -0.4859 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2372 -1.5990 -0.0177 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2691 0.7099 -0.0781 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