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
-1.9603 0.2855 -0.6312 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 0.2774 0.2275 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3794 -0.2425 -0.2214 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5533 -0.2372 0.6437 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5243 0.2427 1.7934 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7486 -0.7769 0.1945 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5942 0.4276 -1.6805 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4813 -0.7074 -0.5507 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6408 1.0976 -0.3233 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8384 0.7070 1.2115 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4400 -0.6668 -1.2126 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6195 -0.4070 0.5491 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