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
-1.4463 0.5082 -0.4555 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9884 -0.6692 0.3007 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2789 -0.8764 0.5076 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2592 0.0552 -0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9991 1.0913 -0.6637 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6350 -0.1667 0.2157 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1839 1.4789 0.0265 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0855 0.5083 -1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5639 0.4946 -0.5119 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7181 -1.3606 0.6826 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5998 -1.7414 1.0622 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2142 0.6777 0.3479 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