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
-1.3652 -0.1300 0.4529 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7981 0.0993 -0.8956 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4900 0.2309 -1.1244 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4328 0.1521 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6833 0.2773 -0.2213 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0628 -0.0577 1.3002 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4884 -0.1921 0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0003 -1.0673 0.9173 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1350 0.6980 1.1612 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4670 0.1627 -1.7354 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8744 0.3976 -2.1208 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7107 -0.5708 1.8879 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