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
-2.0955 -0.0505 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7100 0.4050 -0.1991 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3347 -0.3029 0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6944 0.1412 -0.1205 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9085 1.2316 -0.7210 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7851 -0.5997 0.2539 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3940 -0.8465 -0.6139 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8227 0.7800 0.0609 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0640 -0.5019 1.1166 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5784 1.3403 -0.7127 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1883 -1.2415 0.6744 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7537 -0.3552 0.0158 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