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
-1.9988 -0.4623 0.5585 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7699 0.2988 0.2715 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4138 -0.2775 0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6051 0.4955 -0.1315 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5826 1.7448 -0.2766 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8283 -0.1287 -0.2529 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6808 0.0686 1.2622 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7228 -1.4785 0.9431 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6024 -0.6090 -0.3706 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8341 1.3696 0.1544 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4771 -1.3492 0.2682 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7019 0.3278 -0.4447 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