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
-2.0759 0.1440 0.2938 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6114 0.2430 0.5071 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2785 -0.2251 -0.3338 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6948 -0.0917 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0835 0.4766 0.9947 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6685 -0.5684 -0.9130 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5514 1.1572 0.2163 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2251 -0.4342 -0.6491 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5921 -0.3863 1.1074 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2471 0.7230 1.3971 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0703 -0.7111 -1.2344 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6480 -0.3269 -0.8533 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