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
-1.8986 0.1403 -0.8491 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5364 0.3806 -0.3103 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2616 -0.6334 -0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5977 -0.4068 0.4959 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3760 -1.3494 0.7687 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0486 0.8841 0.7137 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6157 0.9262 -0.4848 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1964 -0.8677 -0.5358 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8255 0.1472 -1.9527 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2305 1.4038 -0.1578 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0433 -1.6562 -0.1843 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0625 1.0313 0.6322 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